Detailed information for compound 936620

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 781.963 | Formula: C37H48FN9O5S2
  • H donors: 5 H acceptors: 6 LogP: 4.3 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(CC1)c1nsc2c1cccc2)C(C)C)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=S)Nc1ccc(cc1)F
  • InChi: 1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1
  • InChiKey: IHQMLFPEZWJSAC-GFLPGQDNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0014 0.0039 0.0038
Loa Loa (eye worm) cathepsin B 0.05 0.3868 0.3868
Brugia malayi cathepsin F-like cysteine proteinase 0.021 0.1578 0.1578
Giardia lamblia Cysteine protease 0.0152 0.1123 0.283
Loa Loa (eye worm) papain family cysteine protease containing protein 0.021 0.1578 0.1578
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0077 0.0038
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0459 0.3547 0.3522
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0077 0.0038
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0152 0.1123 0.2099
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0077 0.0038
Echinococcus granulosus cGMP dependent protein kinase 0.0014 0.0039 0.0038
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Plasmodium falciparum serine repeat antigen 5 0.0152 0.1123 0.2099
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0362 0.2776 0.5334
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.05 0.3868 0.3844
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.1123 0.2152
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0014 0.0039 0.0035
Entamoeba histolytica hypothetical protein 0.0036 0.0207 0.0255
Toxoplasma gondii preprocathepsin c precursor, putative 0.0152 0.1123 0.2099
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Echinococcus granulosus dna polymerase kappa 0.0019 0.0077 0.0076
Schistosoma mansoni cathepsin F (C01 family) 0.0459 0.3547 0.3544
Brugia malayi cathepsin F-like cysteine proteinase 0.0152 0.1123 0.1123
Loa Loa (eye worm) hypothetical protein 0.0459 0.3547 0.3547
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0014 0.0039 0.0067
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0109 0.0788 0.0788
Entamoeba histolytica hypothetical protein 0.0036 0.0207 0.0255
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0014 0.0039 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.003 0.0048
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0039 0.0035
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0077 1
Loa Loa (eye worm) fibroinase 0.0669 0.52 0.52
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.001 0.0004 0.0004
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0014 0.0039 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0123 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Echinococcus granulosus cathepsin L cysteine protease 0.0362 0.2776 0.2775
Trypanosoma brucei unspecified product 0.0013 0.003 0.0048
Entamoeba histolytica hypothetical protein 0.0036 0.0207 0.0255
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0077 0.0077
Echinococcus multilocularis expressed conserved protein 0.0014 0.0039 0.0038
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0061 0.0057
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0038
Loa Loa (eye worm) ctsf protein 0.0669 0.52 0.52
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0152 0.1123 0.2152
Giardia lamblia Cathepsin L precursor 0.0152 0.1123 0.283
Onchocerca volvulus Cathepsin L homolog 0.0669 0.52 1
Schistosoma mansoni cathepsin s 0.021 0.1578 0.1575
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0077 0.0076
Entamoeba histolytica cysteine protease, putative 0.0152 0.1123 0.2042
Trypanosoma cruzi cysteine peptidase, putative 0.0669 0.52 0.5181
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.0096 0.0091
Schistosoma mansoni cpg binding protein 0.0033 0.0184 0.018
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.017 0.0169
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0014 0.0039 0.0067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Echinococcus granulosus cathepsin l cysteine peptidase 0.0669 0.52 0.52
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0014 0.0039 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0152 0.1123 0.2152
Plasmodium vivax unspecified product 0.0152 0.1123 0.2099
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0077 0.0072
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0077 0.0072
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1278 1 1
Plasmodium falciparum serine repeat antigen 2 0.0152 0.1123 0.2099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0459 0.3547 0.6818
Plasmodium vivax vivapain-1 0.0362 0.2776 0.5302
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0022 0.0096 0.0095
Echinococcus granulosus single minded 2 0.001 0.0004 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0152 0.1123 0.2152
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0152 0.1123 0.1119
Giardia lamblia Cathepsin B precursor 0.0152 0.1123 0.283
Echinococcus granulosus cathepsin L 0.0362 0.2776 0.2775
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0152 0.1123 0.2152
Loa Loa (eye worm) hypothetical protein 0.0152 0.1123 0.1122
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Giardia lamblia Cathepsin L-like protease 0.0152 0.1123 0.283
Echinococcus multilocularis cathepsin b 0.1278 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0362 0.2776 0.5268
Trypanosoma cruzi major cysteine proteinase, putative 0.0152 0.1123 0.1088
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0152 0.1123 0.1119
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0014 0.0039 0.0067
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0022 0.0096 0.0176
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0022 0.0096 0.0091
Echinococcus granulosus cysteine protease 0.0362 0.2776 0.2775
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0152 0.1123 0.2099
Onchocerca volvulus 0.0459 0.3547 0.6797
Echinococcus granulosus voltage gated potassium channel 0.0032 0.0175 0.0174
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.05 0.3868 0.3865
Onchocerca volvulus Cathepsin F homolog 0.0669 0.52 1
Loa Loa (eye worm) hypothetical protein 0.0669 0.52 0.52
Trypanosoma cruzi cysteine peptidase, putative 0.0669 0.52 0.5181
Trypanosoma cruzi cysteine proteinase, putative 0.0362 0.2776 0.2747
Schistosoma mansoni hypothetical protein 0.0011 0.0014 0.0009
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0014 0.0039 0.0038
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0077 0.0139
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0152 0.1123 0.2099
Toxoplasma gondii cathepsin CPL 0.0669 0.52 1
Trypanosoma cruzi cysteine protease, putative 0.0362 0.2776 0.2747
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0152 0.1123 0.283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0014 0.0039 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0362 0.2776 0.5334
Brugia malayi hypothetical protein 0.0016 0.0053 0.0053
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0102 0.0731 0.1399
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0014 0.0039 0.0038
Onchocerca volvulus 0.0669 0.52 1
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0014 0.0039 0.0038
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1278 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.1123 0.2152
Loa Loa (eye worm) hypothetical protein 0.0459 0.3547 0.3547
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0152 0.1123 0.2099
Brugia malayi fibroinase precursor 0.0152 0.1123 0.1123
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0014 0.0039 0.0067
Schistosoma mansoni cathepsin F (C01 family) 0.0669 0.52 0.5198
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0152 0.1123 0.283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Toxoplasma gondii cathepsin B 0.05 0.3868 0.7419
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0152 0.1123 0.1119
Loa Loa (eye worm) cysteine protease 0.0669 0.52 0.52
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0152 0.1123 0.2152
Trypanosoma cruzi cysteine peptidase, putative 0.0669 0.52 0.5181
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0152 0.1123 0.2099
Echinococcus granulosus cathepsin L 0.0152 0.1123 0.1122
Loa Loa (eye worm) hypothetical protein 0.0025 0.0123 0.0122
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0669 0.52 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0014 0.0039 0.0035
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0207 0.0206
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1278 1 1
Giardia lamblia Cathepsin B precursor 0.05 0.3868 1
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0014 0.0039 0.0035
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0096 0.0091
Giardia lamblia Cysteine protease 0.0152 0.1123 0.283
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0669 0.52 0.52
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.003 0.0048
Brugia malayi Papain family cysteine protease containing protein 0.0152 0.1123 0.1123
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Entamoeba histolytica cysteine protease, putative 0.0669 0.52 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0152 0.1123 0.2099
Trypanosoma brucei unspecified product 0.0019 0.0077 0.0139
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0014 0.0039 0.0035
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0362 0.2776 0.2747
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Plasmodium falciparum serine repeat antigen 1 0.0152 0.1123 0.2099
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0152 0.1123 0.2099
Brugia malayi cathepsin L-like cysteine proteinase 0.0152 0.1123 0.1123
Plasmodium vivax serine-repeat antigen (SERA) 0.0152 0.1123 0.2099
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0077 0.0038
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0077 0.0072
Brugia malayi hypothetical protein 0.0025 0.0123 0.0123
Toxoplasma gondii cathepsin CPC2 0.0152 0.1123 0.2099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Brugia malayi Cathepsin L-like precursor 0.0669 0.52 0.52
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0022 0.0096 0.0095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Giardia lamblia Hypothetical protein 0.0152 0.1123 0.283
Trichomonas vaginalis conserved hypothetical protein 0.0152 0.1123 0.2152
Loa Loa (eye worm) hypothetical protein 0.1278 1 1
Giardia lamblia Cathepsin B precursor 0.0152 0.1123 0.283
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0022 0.0096 0.0095
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0152 0.1123 0.1119
Brugia malayi cathepsin Z-like cysteine proteinase 0.0152 0.1123 0.1123
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0123 0.0162
Brugia malayi Cathepsin L-like precursor 0.0669 0.52 0.52
Brugia malayi Cyclic-nucleotide gated cation channel 0.0022 0.0096 0.0096
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0109 0.0788 0.0787
Schistosoma mansoni cathepsin S (C01 family) 0.0152 0.1123 0.1119
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Echinococcus multilocularis cathepsin b 0.1278 1 1
Trypanosoma brucei cAMP binding protein, putative 0.0014 0.0039 0.0067
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0152 0.1123 0.2152
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0077 0.0076
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0152 0.1123 0.1119
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0152 0.1123 0.2099
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0039 0.0035
Echinococcus granulosus cGMP dependent protein kinase 1 0.0014 0.0039 0.0038
Giardia lamblia DINP protein human, muc B family 0.0019 0.0077 0.0098
Trypanosoma cruzi cruzipain precursor, putative 0.021 0.1578 0.1545
Giardia lamblia Cysteine protease 0.0152 0.1123 0.283
Loa Loa (eye worm) hypothetical protein 0.021 0.1578 0.1578
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.0096 0.0091
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0152 0.1123 0.1119
Echinococcus multilocularis dnaJ subfamily B 0.0442 0.3412 0.3412
Plasmodium falciparum serine repeat antigen 8 0.0152 0.1123 0.2099
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0077 0.0077
Brugia malayi CXXC zinc finger family protein 0.0031 0.017 0.017
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0102 0.0731 0.1399
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0022 0.0096 0.0095
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0014 0.0039 0.0038
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0014 0.0039 0.5
Treponema pallidum catabolite gene activator (Crp) 0.0014 0.0039 0.5
Giardia lamblia Cathepsin B precursor 0.0152 0.1123 0.283
Entamoeba histolytica cysteine protease, putative 0.0152 0.1123 0.2042
Schistosoma mansoni cathepsin B (C01 family) 0.0152 0.1123 0.1119
Onchocerca volvulus 0.0669 0.52 1
Plasmodium vivax unspecified product 0.021 0.1578 0.2982
Brugia malayi cathepsin L precursor 0.0152 0.1123 0.1123
Echinococcus granulosus cathepsin l1 0.0459 0.3547 0.3547
Plasmodium falciparum cysteine proteinase falcipain 3 0.0669 0.52 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1278 1 1
Giardia lamblia Encystation-specific protease 0.0152 0.1123 0.283
Plasmodium falciparum serine repeat antigen 7 0.0152 0.1123 0.2099
Schistosoma mansoni hypothetical protein 0.0036 0.0207 0.0203
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.021 0.1578 0.1578
Entamoeba histolytica cysteine proteinase 2 0.0362 0.2776 0.5268
Plasmodium vivax unspecified product 0.0362 0.2776 0.5302
Echinococcus multilocularis hyperpolarization activated cyclic 0.0022 0.0096 0.0095
Brugia malayi Cathepsin L-like precursor 0.0459 0.3547 0.3547
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0014 0.0039 0.0035
Brugia malayi Cathepsin L-like precursor 0.0669 0.52 0.52
Loa Loa (eye worm) hypothetical protein 0.0152 0.1123 0.1122
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0152 0.1123 0.1119
Echinococcus multilocularis voltage gated potassium channel 0.0032 0.0175 0.0174
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.1123 0.2152
Loa Loa (eye worm) hypothetical protein 0.0152 0.1123 0.1122
Onchocerca volvulus 0.0669 0.52 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0022 0.0096 0.0095
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.0096 0.0091
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Giardia lamblia Cathepsin B precursor 0.0152 0.1123 0.283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Schistosoma mansoni cpg binding protein 0.0033 0.0184 0.018
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.1123 0.2152
Giardia lamblia Cathepsin L-like protease 0.0152 0.1123 0.283
Schistosoma mansoni hypothetical protein 0.0014 0.0039 0.0035
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0152 0.1123 0.2152
Treponema pallidum cyclic nucleotide binding protein 0.0014 0.0039 0.5
Onchocerca volvulus 0.0152 0.1123 0.2099
Trypanosoma cruzi major cysteine proteinase, putative 0.0152 0.1123 0.1088
Entamoeba histolytica cysteine protease, putative 0.0152 0.1123 0.2042
Entamoeba histolytica cysteine proteinase, putative 0.0459 0.3547 0.6774
Brugia malayi Cathepsin L-like precursor 0.0669 0.52 0.52
Echinococcus multilocularis cathepsin L cysteine protease 0.0669 0.52 0.52
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.05 0.3868 0.7419
Brugia malayi Papain family cysteine protease containing protein 0.0152 0.1123 0.1123
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0014 0.0039 0.0039
Echinococcus multilocularis cysteine protease 0.0669 0.52 0.52
Onchocerca volvulus 0.0031 0.017 0.0254
Giardia lamblia Cathepsin B precursor 0.0152 0.1123 0.283
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0207 0.0203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0669 0.52 0.52
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0362 0.2776 0.5334
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0014 0.0039 0.0038
Giardia lamblia Hypothetical protein 0.0152 0.1123 0.283
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0389 0.0678
Echinococcus granulosus cGMP dependent protein kinase 1 0.0014 0.0039 0.0038
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0077 0.0076
Giardia lamblia Cathepsin L precursor 0.0152 0.1123 0.283
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0123 0.0162
Brugia malayi Cathepsin L-like precursor 0.0669 0.52 0.52
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0152 0.1123 0.1122
Plasmodium vivax vivapain-3 0.0362 0.2776 0.5302
Trypanosoma brucei cysteine peptidase C (CPC) 0.05 0.3868 0.7436
Echinococcus multilocularis cathepsin L cysteine protease 0.0669 0.52 0.52
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0674 0.0673
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0039 0.0067
Mycobacterium leprae Conserved hypothetical protein 0.0014 0.0039 1
Plasmodium falciparum serine repeat antigen 9 0.0152 0.1123 0.2099
Plasmodium vivax vivapain-2 0.0669 0.52 1
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Brugia malayi cathepsin Z-like cysteine proteinase 0.0152 0.1123 0.1123
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0459 0.3547 0.6818
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0022 0.0096 0.0095
Giardia lamblia Cathepsin B precursor 0.05 0.3868 1
Brugia malayi Cathepsin L-like precursor 0.021 0.1578 0.1578
Onchocerca volvulus Cathepsin L homolog 0.0669 0.52 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0077 0.0076
Giardia lamblia Cathepsin B precursor 0.05 0.3868 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0152 0.1123 0.2099
Trypanosoma cruzi cysteine peptidase, putative 0.0362 0.2776 0.2747
Leishmania major cysteine peptidase A (CPA) 0.0669 0.52 1
Trypanosoma cruzi cysteine peptidase, putative 0.0669 0.52 0.5181
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0077 0.0139
Echinococcus granulosus cathepsin L cysteine proteinase 0.0669 0.52 0.52
Brugia malayi Egg laying defective protein 4 0.0014 0.0039 0.0039
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0152 0.1123 0.283
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0032 0.0175 0.0174
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0152 0.1123 0.2152
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0077 0.0076
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0014 0.0039 0.0035
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0014 0.0039 0.0067
Echinococcus granulosus cathepsin b 0.1278 1 1
Giardia lamblia Cathepsin L precursor 0.0152 0.1123 0.283
Trypanosoma brucei unspecified product 0.0013 0.003 0.0048
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Plasmodium falciparum cysteine proteinase falcipain 1 0.0362 0.2776 0.5302
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0014 0.0039 0.0038
Onchocerca volvulus 0.0669 0.52 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0014 0.0013
Leishmania major DNA polymerase kappa, putative 0.0019 0.0077 0.0072
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0077 0.0139
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0022 0.0096 0.0095
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0123 0.0228
Brugia malayi Cathepsin L-like precursor 0.0459 0.3547 0.3547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.1123 0.2152
Entamoeba histolytica cysteine proteinase 1, putative 0.0362 0.2776 0.5268
Giardia lamblia Cathepsin L precursor 0.0152 0.1123 0.283
Schistosoma mansoni voltage-gated potassium channel 0.0119 0.0867 0.0863
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0109 0.0788 0.0787
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0022 0.0096 0.0091
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Giardia lamblia Cathepsin L precursor 0.0152 0.1123 0.283
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0152 0.1123 0.1123
Schistosoma mansoni voltage-gated potassium channel 0.0119 0.0867 0.0863
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0152 0.1123 0.2099
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0152 0.1123 0.2099
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Onchocerca volvulus Cathepsin L homolog 0.0152 0.1123 0.2099
Entamoeba histolytica cysteine proteinase, putative 0.0362 0.2776 0.5268
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0022 0.0096 0.0095
Leishmania major hypothetical protein, conserved 0.0025 0.0123 0.0162
Onchocerca volvulus 0.0669 0.52 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0014 0.0039 0.0038
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0123 0.0162
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0669 0.52 0.52
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0077 0.0139
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0014 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Treponema pallidum cyclic nucleotide binding protein 0.0014 0.0039 0.5
Entamoeba histolytica cysteine protease, putative 0.0152 0.1123 0.2042
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.05 0.3868 0.7436
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0014 0.0039 0.0067
Schistosoma mansoni 60S ribosomal protein L21 0.0017 0.0061 0.0057
Echinococcus multilocularis cysteine protease 0.0669 0.52 0.52
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0152 0.1123 0.1119
Brugia malayi Papain family cysteine protease containing protein 0.0152 0.1123 0.1123
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1278 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.003 0.0048
Trypanosoma brucei cAMP response protein 1, putative 0.0014 0.0039 0.0067
Loa Loa (eye worm) hypothetical protein 0.021 0.1578 0.1578
Trichomonas vaginalis conserved hypothetical protein 0.0152 0.1123 0.2152
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0152 0.1123 0.2152
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0445 0.044
Echinococcus multilocularis cathepsin L 0.0152 0.1123 0.1122
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0109 0.0788 0.0787
Giardia lamblia Cathepsin L precursor 0.0152 0.1123 0.283
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0362 0.2776 0.2772
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0014 0.0039 0.0038
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0077 0.0038
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0022 0.0096 0.0176
Echinococcus granulosus hyperpolarization activated cyclic 0.0022 0.0096 0.0095
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0362 0.2776 0.2772
Brugia malayi N-terminal motif family protein 0.0014 0.0039 0.0039
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0152 0.1123 0.2099
Brugia malayi Cathepsin L-like precursor 0.0669 0.52 0.52
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0152 0.1123 0.2152
Entamoeba histolytica cysteine proteinase, putative 0.0669 0.52 1
Loa Loa (eye worm) hypothetical protein 0.021 0.1578 0.1578
Loa Loa (eye worm) hypothetical protein 0.0152 0.1123 0.1122
Entamoeba histolytica cysteine proteinase, putative 0.0669 0.52 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0152 0.1123 0.1119
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0152 0.1123 0.1122
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0022 0.0096 0.0095
Entamoeba histolytica cysteine proteinase, putative 0.0362 0.2776 0.5268
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0014 0.0039 0.0035
Treponema pallidum catabolite gene activator 0.0014 0.0039 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0096 0.0095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Echinococcus multilocularis cathepsin L 0.0362 0.2776 0.2775
Plasmodium falciparum serine repeat antigen 3 0.0152 0.1123 0.2099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0032 0.0175 0.0175
Entamoeba histolytica cysteine proteinase, putative 0.0362 0.2776 0.5268
Loa Loa (eye worm) hypothetical protein 0.0152 0.1123 0.1122
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0014 0.0039 0.0035
Schistosoma mansoni DNA polymerase eta 0.0019 0.0077 0.0072
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0362 0.2776 0.2772
Schistosoma mansoni hypothetical protein 0.0442 0.3412 0.3409
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0014 0.0039 0.0038
Trypanosoma cruzi cysteine proteinase, putative 0.0362 0.2776 0.2747
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0014 0.0039 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0152 0.1123 0.2152
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0669 0.52 1
Onchocerca volvulus 0.0669 0.52 1
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0014 0.0039 0.0039
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0669 0.52 1
Brugia malayi cathepsin L-like precursor 0.0459 0.3547 0.3547
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0152 0.1123 0.2152
Schistosoma mansoni cathepsin C 0.0152 0.1123 0.1119
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Brugia malayi Papain family cysteine protease containing protein 0.0669 0.52 0.52
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0175 0.0171
Echinococcus granulosus patatin phospholipase domain containing protein 0.0014 0.0039 0.0038
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.0174
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0669 0.52 1
Plasmodium falciparum serine repeat antigen 6 0.0152 0.1123 0.2099
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0362 0.2776 0.5334
Echinococcus multilocularis cpg binding protein 0.0033 0.0184 0.0183
Plasmodium falciparum serine repeat antigen 4 0.0152 0.1123 0.2099
Echinococcus granulosus dna polymerase eta 0.0019 0.0077 0.0076
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0152 0.1123 0.2099
Trypanosoma brucei Flagellar Member 6 0.0014 0.0039 0.0067
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0207 0.0206
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0077 0.0139
Entamoeba histolytica hypothetical protein 0.0036 0.0207 0.0255
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0022 0.0096 0.0095
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0175 0.0171
Loa Loa (eye worm) hypothetical protein 0.0459 0.3547 0.3547
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0077 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0669 0.52 0.52
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0032 0.0175 0.0174
Toxoplasma gondii cathepsin CPC1 0.0152 0.1123 0.2099
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0152 0.1123 0.283
Echinococcus granulosus dnaJ subfamily B 0.0442 0.3412 0.3412
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0077 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Schistosoma mansoni cathepsin F (C01 family) 0.0669 0.52 0.5198
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0077 0.0139
Schistosoma mansoni cpg binding protein 0.0031 0.017 0.0166
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0014 0.0039 0.0035
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0014 0.0039 0.0038
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0152 0.1123 0.2042
Trypanosoma cruzi cruzipain precursor, putative 0.0669 0.52 0.5181
Echinococcus granulosus cathepsin b 0.1278 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0022 0.0096 0.0095
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0123 0.0084
Brugia malayi Papain family cysteine protease containing protein 0.0362 0.2776 0.2776
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0152 0.1123 0.2099
Brugia malayi hypothetical protein 0.0036 0.0207 0.0207
Echinococcus granulosus cathepsin l1 0.0669 0.52 0.52
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0077 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0152 0.1123 0.2042
Brugia malayi Papain family cysteine protease containing protein 0.0362 0.2776 0.2776
Brugia malayi Cathepsin L-like cysteine proteinase 0.0459 0.3547 0.3547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0669 0.52 1
Plasmodium vivax vivapain-2 0.0669 0.52 1
Leishmania major cathepsin L-like protease 0.0669 0.52 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0077 0.0076
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0123 0.0084
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0014 0.0039 0.0035
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1123 0.1122
Onchocerca volvulus 0.0669 0.52 1
Entamoeba histolytica cysteine protease, putative 0.0152 0.1123 0.2042
Echinococcus granulosus cpg binding protein 0.0033 0.0184 0.0183
Trypanosoma cruzi cysteine peptidase, putative 0.021 0.1578 0.1545
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0077 0.0139
Entamoeba histolytica cysteine protease, putative 0.0152 0.1123 0.2042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0669 0.52 1
Trypanosoma brucei protein kinase A regulatory subunit 0.0014 0.0039 0.0067
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0152 0.1123 0.1122
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0039 0.0035
Entamoeba histolytica hypothetical protein 0.0152 0.1123 0.2042
Giardia lamblia Cysteine protease 0.0152 0.1123 0.283
Entamoeba histolytica cysteine protease, putative 0.0362 0.2776 0.5268
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0669 0.52 1
Leishmania major DNA polymerase eta, putative 0.0019 0.0077 0.0072

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 35 uM Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method ChEMBL. 25305332
IZ (functional) = 32 mm Antibacterial activity against Escherichia coli at 50 ug/mL incubated for 24 hrs by agar well diffusion method ChEMBL. 25305332

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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