Detailed information for compound 1203769

Basic information

Technical information
  • TDR Targets ID: 1203769
  • Name: N-butyl-4-[5-methyl-4-[(4-methylphenyl)sulfon ylmethyl]-1,3-oxazol-2-yl]benzamide
  • MW: 426.529 | Formula: C23H26N2O4S
  • H donors: 1 H acceptors: 4 LogP: 4.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)c1ccc(cc1)c1nc(c(o1)C)CS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C23H26N2O4S/c1-4-5-14-24-22(26)18-8-10-19(11-9-18)23-25-21(17(3)29-23)15-30(27,28)20-12-6-16(2)7-13-20/h6-13H,4-5,14-15H2,1-3H3,(H,24,26)
  • InChiKey: MBFWLYLAHLZMFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]oxazol-2-yl]benzamide
  • N-butyl-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-2-oxazolyl]benzamide
  • E776-1743
  • NCGC00125435-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
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
Onchocerca volvulus 0.0077 0.1079 0.1635
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5682 0.5682
Echinococcus multilocularis hypothetical protein 0.008 0.1172 0.1172
Brugia malayi Cathepsin L-like precursor 0.0077 0.1079 0.1079
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0196 0.0196
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0196 0.0196
Plasmodium vivax vivapain-2 0.0077 0.1079 0.9205
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.1079 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.404 0.404
Trypanosoma cruzi cysteine proteinase, putative 0.0045 0.0249 0.0054
Loa Loa (eye worm) hypothetical protein 0.0077 0.1079 0.1079
Onchocerca volvulus 0.0286 0.6598 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0451 0.0451
Brugia malayi Cathepsin L-like precursor 0.0077 0.1079 0.1079
Echinococcus granulosus cathepsin b 0.0415 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0196 0.0196
Trypanosoma brucei calpain-like protein, putative 0.008 0.1172 0.3645
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0077 0.1079 1
Echinococcus multilocularis cathepsin L 0.0045 0.0249 0.0249
Onchocerca volvulus 0.0077 0.1079 0.1635
Brugia malayi Cathepsin L-like precursor 0.0055 0.0513 0.0513
Leishmania major kinesin, putative 0.0056 0.0534 0.1261
Trypanosoma brucei calpain-like protein, putative 0.008 0.1172 0.3645
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Schistosoma mansoni hypothetical protein 0.0036 0.0007 0.0007
Schistosoma mansoni survival motor neuron protein 0.0051 0.0405 0.0405
Echinococcus granulosus tumor protein p63 0.0408 0.9818 0.9818
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.0196
Entamoeba histolytica cysteine protease, putative 0.0077 0.1079 1
Loa Loa (eye worm) cathepsin B 0.0145 0.2874 0.2874
Trypanosoma cruzi calpain cysteine peptidase, putative 0.008 0.1172 0.0996
Echinococcus granulosus cathepsin b 0.0415 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0335 0.0335
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.1079 0.0901
Brugia malayi calpain 7 0.008 0.1172 0.1172
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0077 0.1079 0.1379
Brugia malayi Cathepsin L-like precursor 0.0077 0.1079 0.1079
Echinococcus granulosus calpain 0.008 0.1172 0.1172
Echinococcus granulosus geminin 0.0181 0.3814 0.3814
Trypanosoma brucei cysteine peptidase C (CPC) 0.0145 0.2874 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0045 0.0249 0.0249
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.0196
Echinococcus multilocularis cathepsin L cysteine protease 0.0077 0.1079 0.1079
Onchocerca volvulus 0.0077 0.1079 0.1635
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Onchocerca volvulus Cathepsin F homolog 0.0077 0.1079 0.1635
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Echinococcus granulosus cathepsin L cysteine protease 0.0045 0.0249 0.0249
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0196 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Onchocerca volvulus Cathepsin L homolog 0.0077 0.1079 0.1635
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Trypanosoma cruzi cysteine protease, putative 0.0045 0.0249 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0077 0.1079 0.1379
Brugia malayi Cathepsin L-like precursor 0.0077 0.1079 0.1079
Echinococcus multilocularis cathepsin b 0.0415 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0077 0.1079 0.1079
Loa Loa (eye worm) hypothetical protein 0.0053 0.0451 0.0451
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Brugia malayi calpain family protein 1 0.0213 0.4678 0.4678
Schistosoma mansoni cathepsin F (C01 family) 0.0055 0.0513 0.0513
Echinococcus granulosus calpain 7 C02 family 0.008 0.1172 0.1172
Loa Loa (eye worm) hypothetical protein 0.0133 0.2555 0.2555
Toxoplasma gondii cathepsin CPL 0.0077 0.1079 0.3754
Schistosoma mansoni hypothetical protein 0.0051 0.0405 0.0405
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0196 0.0196
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.008 0.1172 0.3645
Mycobacterium leprae Probable lipase LipE 0.0043 0.0196 0.5
Plasmodium vivax unspecified product 0.0045 0.0249 0.2126
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.008 0.1172 0.0996
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Schistosoma mansoni hypothetical protein 0.0181 0.3814 0.3814
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.0196
Mycobacterium ulcerans hypothetical protein 0.0043 0.0196 0.5
Echinococcus granulosus cathepsin l1 0.0077 0.1079 0.1079
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.0996
Echinococcus granulosus cysteine protease 0.0045 0.0249 0.0249
Loa Loa (eye worm) ctsf protein 0.0077 0.1079 0.1079
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0405 0.0405
Echinococcus multilocularis cathepsin b 0.0415 1 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.3645
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1079 0.0901
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0335 0.0335
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Onchocerca volvulus 0.0043 0.0196 0.0297
Brugia malayi beta-lactamase 0.0043 0.0196 0.0196
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0007 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Onchocerca volvulus 0.0051 0.0405 0.0614
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0213 0.4678 0.4678
Echinococcus granulosus cathepsin L 0.0045 0.0249 0.0249
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0335 0.0335
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0335 0.0335
Brugia malayi Cathepsin L-like precursor 0.0055 0.0513 0.0513
Trypanosoma cruzi cysteine proteinase, putative 0.0045 0.0249 0.0054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.0196
Brugia malayi calpain 5 0.0056 0.0534 0.0534
Entamoeba histolytica protein kinase, putative 0.0056 0.0534 0.3429
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.008 0.1172 0.0996
Echinococcus multilocularis calpain 7 (C02 family) 0.008 0.1172 0.1172
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0077 0.1079 0.1079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.638 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0196 0.5
Onchocerca volvulus 0.0077 0.1079 0.1635
Brugia malayi Papain family cysteine protease containing protein 0.0045 0.0249 0.0249
Loa Loa (eye worm) calpain family protein 1 0.0157 0.3193 0.3193
Brugia malayi Pre-SET motif family protein 0.0251 0.5682 0.5682
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0145 0.2874 0.2874
Onchocerca volvulus 0.0077 0.1079 0.1635
Echinococcus granulosus cathepsin L cysteine proteinase 0.0077 0.1079 0.1079
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0415 1 1
Echinococcus multilocularis calpain A 0.023 0.5121 0.5121
Schistosoma mansoni calpain-7 (C02 family) 0.008 0.1172 0.1172
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.023 0.5109 0.5109
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0249 0.0083
Brugia malayi calpain family protein 1 0.0213 0.4678 0.4678
Mycobacterium ulcerans beta-lactamase 0.0043 0.0196 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0196 0.5
Loa Loa (eye worm) hypothetical protein 0.0415 1 1
Echinococcus granulosus cathepsin l1 0.0055 0.0513 0.0513
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0335 0.0335
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0513 0.0495
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0415 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0196 0.0196
Echinococcus multilocularis geminin 0.0181 0.3814 0.3814
Onchocerca volvulus 0.0133 0.2555 0.3872
Trypanosoma brucei calpain-like protein, putative 0.008 0.1172 0.3645
Echinococcus multilocularis tumor protein p63 0.0408 0.9818 0.9818
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0045 0.0249 0.0198
Echinococcus granulosus calpain 5 0.008 0.1172 0.1172
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Loa Loa (eye worm) hypothetical protein 0.0036 0.0007 0.0007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.0996
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0196 0.1673
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Plasmodium vivax vivapain-1 0.0045 0.0249 0.2126
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.3645
Trypanosoma brucei calpain-like protein, putative 0.008 0.1172 0.3645
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0335 0.0335
Loa Loa (eye worm) cysteine protease 0.0077 0.1079 0.1079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0045 0.0249 0.0083
Brugia malayi Papain family cysteine protease containing protein 0.0045 0.0249 0.0249
Toxoplasma gondii ABC1 family protein 0.0043 0.0196 0.0682
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0045 0.0249 0.0249
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0415 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1079 0.0901
Entamoeba histolytica calpain large subunit domain III containing protein 0.0056 0.0534 0.3429
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0077 0.1079 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0045 0.0249 0.0054
Giardia lamblia Cathepsin B precursor 0.0145 0.2874 0.5
Schistosoma mansoni calpain C (C02 family) 0.008 0.1172 0.1172
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0415 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0196 0.0196
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0196 0.0196
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0625 0.0625
Plasmodium vivax vivapain-3 0.0045 0.0249 0.2126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.006 0.0625 0.0625
Echinococcus granulosus calpain A 0.023 0.5121 0.5121
Entamoeba histolytica cysteine proteinase, putative 0.0077 0.1079 1
Toxoplasma gondii cathepsin B 0.0145 0.2874 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.023 0.5109 0.5109
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0335 0.0335
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Loa Loa (eye worm) hypothetical protein 0.0252 0.5699 0.5699
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.0996
Plasmodium falciparum cysteine proteinase falcipain 3 0.0077 0.1079 1
Entamoeba histolytica cysteine proteinase, putative 0.0055 0.0513 0.3182
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.008 0.1172 0.0996
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1079 0.0901
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.3645
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0045 0.0249 0.0198
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0196 0.5
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0045 0.0249 0.0249
Schistosoma mansoni calpain (C02 family) 0.008 0.1172 0.1172
Loa Loa (eye worm) beta-lactamase 0.0043 0.0196 0.0196
Loa Loa (eye worm) fibroinase 0.0077 0.1079 0.1079
Onchocerca volvulus 0.006 0.0625 0.0947
Echinococcus multilocularis cathepsin L cysteine protease 0.0077 0.1079 0.1079
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0145 0.2874 1
Loa Loa (eye worm) calpain family protein 1 0.0213 0.4678 0.4678
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0077 0.1079 0.1079
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Schistosoma mansoni calpain-7 (C02 family) 0.008 0.1172 0.1172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0077 0.1079 0.1079
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.0996
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.008 0.1172 0.0996
Echinococcus granulosus cathepsin l cysteine peptidase 0.0077 0.1079 0.1079
Onchocerca volvulus 0.0077 0.1079 0.1635
Giardia lamblia Cathepsin B precursor 0.0145 0.2874 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Onchocerca volvulus 0.0043 0.0196 0.0297
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0415 1 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.023 0.5109 0.5109
Schistosoma mansoni cathepsin F (C01 family) 0.0077 0.1079 0.1079
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0196 0.0196
Trypanosoma cruzi kinesin, putative 0.0056 0.0534 0.0344
Trypanosoma cruzi cysteine peptidase, putative 0.0045 0.0249 0.0054
Giardia lamblia Cathepsin B precursor 0.0145 0.2874 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Loa Loa (eye worm) hypothetical protein 0.0213 0.4678 0.4678
Echinococcus multilocularis cysteine protease 0.0077 0.1079 0.1079
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Schistosoma mansoni Mername-AA248 (C02 family) 0.008 0.1172 0.1172
Schistosoma mansoni hypothetical protein 0.0181 0.3814 0.3814
Leishmania major cathepsin L-like protease 0.0077 0.1079 0.3297
Echinococcus multilocularis calpain 5 0.008 0.1172 0.1172
Trypanosoma brucei kinesin, putative 0.0056 0.0534 0.1261
Brugia malayi Cathepsin L-like cysteine proteinase 0.0055 0.0513 0.0513
Loa Loa (eye worm) hypothetical protein 0.0055 0.0513 0.0513
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0451 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.5699 0.5699
Onchocerca volvulus 0.0055 0.0513 0.0778
Schistosoma mansoni cathepsin F (C01 family) 0.0077 0.1079 0.1079
Plasmodium vivax calpain, putative 0.008 0.1172 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0513 0.0513
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.008 0.1172 0.3645
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.023 0.5109 0.5109
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0055 0.0513 0.0495
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Onchocerca volvulus 0.0077 0.1079 0.1635
Echinococcus multilocularis calpain family protein 1, d 0.0157 0.3193 0.3193
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6598 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1079 0.0901
Plasmodium vivax vivapain-2 0.0077 0.1079 0.9205
Loa Loa (eye worm) hypothetical protein 0.0157 0.3193 0.3193
Echinococcus granulosus calpain A 0.008 0.1172 0.1172
Onchocerca volvulus 0.0043 0.0196 0.0297
Trypanosoma cruzi kinesin, putative 0.0056 0.0534 0.0344
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0145 0.2874 0.2732
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1079 0.3297
Brugia malayi hypothetical protein 0.0252 0.5699 0.5699
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.5699 0.5699
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0335 0.0335
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Brugia malayi Cathepsin L-like precursor 0.0077 0.1079 0.1079
Echinococcus multilocularis cysteine protease 0.0077 0.1079 0.1079
Loa Loa (eye worm) hypothetical protein 0.0055 0.0513 0.0513
Echinococcus multilocularis calpain 0.008 0.1172 0.1172
Leishmania major cysteine peptidase A (CPA) 0.0077 0.1079 0.3297
Loa Loa (eye worm) hypothetical protein 0.0043 0.0196 0.0196
Onchocerca volvulus Cathepsin L homolog 0.0077 0.1079 0.1635
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0145 0.2874 0.4183
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.008 0.1172 0.0996
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Trypanosoma brucei antigen, putative 0.008 0.1172 0.3645
Brugia malayi cathepsin L-like precursor 0.0055 0.0513 0.0513
Brugia malayi Papain family cysteine protease containing protein 0.0077 0.1079 0.1079
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0055 0.0513 0.0324
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0077 0.1079 0.1379
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0077 0.1079 0.1379
Loa Loa (eye worm) calpain 0.008 0.1172 0.1172
Loa Loa (eye worm) calpain 5 0.0056 0.0534 0.0534
Brugia malayi Cathepsin L-like precursor 0.0077 0.1079 0.1079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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