Detailed information for compound 181465

Basic information

Technical information
  • TDR Targets ID: 181465
  • Name: 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dime thyl-3,4-dihydrochromen-4-yl]-3-(4-methylsulf anylphenyl)guanidine
  • MW: 407.489 | Formula: C21H21N5O2S
  • H donors: 3 H acceptors: 3 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CN/C(=N\[C@@H]1c2cc(C#N)ccc2OC([C@H]1O)(C)C)/Nc1ccc(cc1)SC
  • InChi: 1S/C21H21N5O2S/c1-21(2)19(27)18(16-10-13(11-22)4-9-17(16)28-21)26-20(24-12-23)25-14-5-7-15(29-3)8-6-14/h4-10,18-19,27H,1-3H3,(H2,24,25,26)/t18-,19+/m1/s1
  • InChiKey: AYKPSWNXURPMHH-MOPGFXCFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-(4-methylsulfanylphenyl)guanidine
  • 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3-[4-(methylthio)phenyl]guanidine
  • 1-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-3-[4-(methylthio)phenyl]guanidine
  • 3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-1-(4-methylsulfanylphenyl)guanidine
  • 3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-1-(4-methylsulfanylphenyl)guanidine
  • 3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-1-[4-(methylthio)phenyl]guanidine
  • 3-cyano-2-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-1-[4-(methylthio)phenyl]guanidine

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
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0133 0.0941 0.1759
Giardia lamblia Cathepsin B precursor 0.0425 0.3743 1
Trypanosoma cruzi cysteine peptidase, putative 0.0186 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0186 0.1451 0.1451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0319 0.2729 0.51
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0133 0.0941 0.1759
Trypanosoma cruzi cysteine peptidase, putative 0.0593 0.5351 0.5351
Onchocerca volvulus 0.0406 0.3563 0.6659
Loa Loa (eye worm) hypothetical protein 0.0133 0.0941 0.0941
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0133 0.0941 0.1759
Echinococcus granulosus cathepsin L 0.0133 0.0941 0.0941
Schistosoma mansoni cathepsin S (C01 family) 0.0133 0.0941 0.0941
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0319 0.2729 0.2729
Giardia lamblia Cathepsin B precursor 0.0425 0.3743 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0406 0.3563 0.3563
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0133 0.0941 0.0941
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0133 0.0941 0.1759
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Giardia lamblia Cathepsin B precursor 0.0425 0.3743 1
Giardia lamblia Cathepsin L precursor 0.0133 0.0941 0.2515
Plasmodium vivax vivapain-2 0.0593 0.5351 1
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0133 0.0941 0.1759
Onchocerca volvulus Cathepsin L homolog 0.0593 0.5351 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0186 0.1451 0.1451
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Plasmodium falciparum serine repeat antigen 7 0.0133 0.0941 0.1759
Loa Loa (eye worm) hypothetical protein 0.0133 0.0941 0.0941
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0593 0.5351 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.1209 0.1209
Plasmodium falciparum serine repeat antigen 9 0.0133 0.0941 0.1759
Trichomonas vaginalis cdc25b, putative 0.0175 0.134 0.2504
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0593 0.5351 0.5351
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0253 0.0253
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.0941 0.1759
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Entamoeba histolytica cysteine proteinase, putative 0.0406 0.3563 0.5946
Echinococcus granulosus cathepsin L 0.0319 0.2729 0.2729
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0175 0.134 0.2504
Plasmodium vivax unspecified product 0.0133 0.0941 0.1759
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1077 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0593 0.5351 0.5351
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0175 0.134 0.2504
Echinococcus multilocularis geminin 0.0178 0.1374 0.1374
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0133 0.0941 0.0941
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2729 0.4054
Leishmania major cysteine peptidase A (CPA) 0.0593 0.5351 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0133 0.0941 0.0941
Entamoeba histolytica cysteine proteinase 1, putative 0.0319 0.2729 0.4054
Echinococcus granulosus cathepsin b 0.1077 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0319 0.2729 0.51
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Brugia malayi Rhodanese-like domain containing protein 0.0175 0.134 0.134
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2729 0.4054
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0253 0.0253
Brugia malayi cathepsin L-like precursor 0.0406 0.3563 0.3563
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0133 0.0941 0.1759
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0593 0.5351 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0593 0.5351 0.5351
Giardia lamblia Cathepsin B precursor 0.0133 0.0941 0.2515
Loa Loa (eye worm) hypothetical protein 0.0133 0.0941 0.0941
Onchocerca volvulus Cathepsin F homolog 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Brugia malayi Cathepsin L-like precursor 0.0593 0.5351 0.5351
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0319 0.2729 0.2729
Echinococcus multilocularis cathepsin L 0.0133 0.0941 0.0941
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Entamoeba histolytica cysteine proteinase 2 0.0319 0.2729 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Trypanosoma cruzi cysteine proteinase, putative 0.0319 0.2729 0.2729
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0941 0.0941
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0319 0.2729 0.2729
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0133 0.0941 0.1759
Toxoplasma gondii cathepsin CPC2 0.0133 0.0941 0.1759
Onchocerca volvulus 0.0593 0.5351 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1077 1 1
Giardia lamblia Cathepsin L-like protease 0.0133 0.0941 0.2515
Schistosoma mansoni microtubule-associated protein tau 0.0726 0.663 0.663
Entamoeba histolytica rodhanase-like domain containing protein 0.0175 0.134 0.0904
Entamoeba histolytica cysteine proteinase, putative 0.0593 0.5351 1
Echinococcus multilocularis cysteine protease 0.0593 0.5351 0.5351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0406 0.3563 0.6659
Giardia lamblia Cathepsin L precursor 0.0133 0.0941 0.2515
Plasmodium falciparum serine repeat antigen 3 0.0133 0.0941 0.1759
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0133 0.0941 0.1759
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0133 0.0941 0.1759
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0319 0.2729 0.51
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0593 0.5351 0.5351
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trypanosoma cruzi cysteine peptidase, putative 0.0593 0.5351 0.5351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0133 0.0941 0.1759
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1077 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0593 0.5351 0.5351
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0133 0.0941 0.1759
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0 0.5
Echinococcus granulosus cathepsin l1 0.0593 0.5351 0.5351
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0133 0.0941 0.1759
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Schistosoma mansoni cathepsin C 0.0133 0.0941 0.0941
Plasmodium falciparum serine repeat antigen 1 0.0133 0.0941 0.1759
Trypanosoma cruzi cysteine peptidase, putative 0.0593 0.5351 0.5351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0319 0.2729 0.2729
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Giardia lamblia Cysteine protease 0.0133 0.0941 0.2515
Plasmodium falciparum serine repeat antigen 8 0.0133 0.0941 0.1759
Giardia lamblia Cathepsin B precursor 0.0133 0.0941 0.2515
Giardia lamblia Cathepsin B precursor 0.0133 0.0941 0.2515
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Echinococcus multilocularis microtubule associated protein 2 0.0726 0.663 0.663
Loa Loa (eye worm) hypothetical protein 0.0133 0.0941 0.0941
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0133 0.0941 0.2515
Mycobacterium ulcerans pyruvate kinase 0.0035 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Giardia lamblia Cathepsin B precursor 0.0133 0.0941 0.2515
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.0941 0.1759
Echinococcus multilocularis cathepsin b 0.1077 1 1
Brugia malayi Rhodanese-like domain containing protein 0.0175 0.134 0.134
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0175 0.134 0.2504
Echinococcus multilocularis cathepsin b 0.1077 1 1
Giardia lamblia Cathepsin L precursor 0.0133 0.0941 0.2515
Brugia malayi Cathepsin L-like precursor 0.0593 0.5351 0.5351
Schistosoma mansoni survival motor neuron protein 0.0047 0.0119 0.0119
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0133 0.0941 0.1759
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.0133 0.0941 0.2515
Loa Loa (eye worm) hypothetical protein 0.0161 0.1209 0.1209
Brugia malayi Cathepsin L-like precursor 0.0186 0.1451 0.1451
Giardia lamblia Encystation-specific protease 0.0133 0.0941 0.2515
Toxoplasma gondii preprocathepsin c precursor, putative 0.0133 0.0941 0.1759
Brugia malayi Cathepsin L-like precursor 0.0406 0.3563 0.3563
Brugia malayi cathepsin F-like cysteine proteinase 0.0133 0.0941 0.0941
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0133 0.0941 0.1759
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.1896 0.1896
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0253 0.0253
Toxoplasma gondii cathepsin CPC1 0.0133 0.0941 0.1759
Brugia malayi Cathepsin L-like precursor 0.0406 0.3563 0.3563
Plasmodium falciparum cysteine proteinase falcipain 3 0.0593 0.5351 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1077 1 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0175 0.134 0.0904
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0133 0.0941 0.2515
Onchocerca volvulus 0.0593 0.5351 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0133 0.0941 0.0941
Giardia lamblia Cathepsin L precursor 0.0133 0.0941 0.2515
Loa Loa (eye worm) hypothetical protein 0.0233 0.1896 0.1896
Giardia lamblia Cathepsin B precursor 0.0133 0.0941 0.2515
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0941 0.0941
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0186 0.1451 0.1451
Giardia lamblia Cysteine protease 0.0133 0.0941 0.2515
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2729 0.4054
Loa Loa (eye worm) hypothetical protein 0.0406 0.3563 0.3563
Onchocerca volvulus 0.0593 0.5351 1
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Plasmodium vivax unspecified product 0.0186 0.1451 0.2711
Giardia lamblia Cysteine protease 0.0133 0.0941 0.2515
Onchocerca volvulus 0.0175 0.134 0.2504
Brugia malayi TAR-binding protein 0.0061 0.0253 0.0253
Schistosoma mansoni hypothetical protein 0.0178 0.1374 0.1374
Plasmodium falciparum serine repeat antigen 2 0.0133 0.0941 0.1759
Brugia malayi Papain family cysteine protease containing protein 0.0133 0.0941 0.0941
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0133 0.0941 0.0941
Loa Loa (eye worm) hypothetical protein 0.0175 0.134 0.134
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0133 0.0941 0.1759
Brugia malayi Cathepsin L-like precursor 0.0593 0.5351 0.5351
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0133 0.0941 0.0941
Trypanosoma cruzi cruzipain precursor, putative 0.0186 0.1451 0.1451
Echinococcus granulosus cathepsin l1 0.0406 0.3563 0.3563
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0133 0.0941 0.1759
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0253 0.0253
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0133 0.0941 0.0941
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0425 0.3743 0.6995
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0133 0.0941 0.2515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trypanosoma cruzi cysteine proteinase, putative 0.0319 0.2729 0.2729
Brugia malayi Papain family cysteine protease containing protein 0.0133 0.0941 0.0941
Plasmodium vivax serine-repeat antigen (SERA) 0.0133 0.0941 0.1759
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0133 0.0941 0.1759
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Toxoplasma gondii cathepsin CPL 0.0593 0.5351 1
Toxoplasma gondii cathepsin B 0.0425 0.3743 0.6995
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0175 0.134 0.134
Plasmodium vivax vivapain-3 0.0319 0.2729 0.51
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0133 0.0941 0.0941
Echinococcus granulosus cathepsin L cysteine protease 0.0319 0.2729 0.2729
Echinococcus granulosus cathepsin L cysteine proteinase 0.0593 0.5351 0.5351
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0133 0.0941 0.1759
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Plasmodium falciparum serine repeat antigen 6 0.0133 0.0941 0.1759
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0425 0.3743 0.3743
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0133 0.0941 0.1759
Echinococcus multilocularis cathepsin L cysteine protease 0.0593 0.5351 0.5351
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Echinococcus multilocularis cysteine protease 0.0593 0.5351 0.5351
Brugia malayi hypothetical protein 0.0233 0.1896 0.1896
Onchocerca volvulus Cathepsin L homolog 0.0593 0.5351 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0425 0.3743 0.3743
Trypanosoma cruzi cysteine peptidase, putative 0.0319 0.2729 0.2729
Loa Loa (eye worm) cathepsin B 0.0425 0.3743 0.3743
Giardia lamblia Hypothetical protein 0.0133 0.0941 0.2515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trypanosoma cruzi cysteine peptidase, putative 0.0593 0.5351 0.5351
Brugia malayi Papain family cysteine protease containing protein 0.0593 0.5351 0.5351
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0133 0.0941 0.1759
Loa Loa (eye worm) hypothetical protein 0.1077 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0319 0.2729 0.2729
Onchocerca volvulus 0.0133 0.0941 0.1759
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0253 0.0253
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0133 0.0941 0.0941
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0133 0.0941 0.0941
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0133 0.0941 0.1759
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0133 0.0941 0.1759
Onchocerca volvulus 0.0593 0.5351 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0406 0.3563 0.3563
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0133 0.0941 0.1759
Giardia lamblia Cathepsin L precursor 0.0133 0.0941 0.2515
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0941 0.0941
Brugia malayi Cathepsin L-like precursor 0.0593 0.5351 0.5351
Plasmodium falciparum serine repeat antigen 4 0.0133 0.0941 0.1759
Brugia malayi Papain family cysteine protease containing protein 0.0133 0.0941 0.0941
Plasmodium vivax serine-repeat antigen (SERA) 0.0133 0.0941 0.1759
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0133 0.0941 0.1759
Onchocerca volvulus 0.0593 0.5351 1
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Chlamydia trachomatis pyruvate kinase 0.0035 0 0.5
Onchocerca volvulus 0.0047 0.0119 0.0222
Brugia malayi Cathepsin L-like precursor 0.0593 0.5351 0.5351
Schistosoma mansoni cathepsin F (C01 family) 0.0593 0.5351 0.5351
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0425 0.3743 0.6995
Loa Loa (eye worm) hypothetical protein 0.0593 0.5351 0.5351
Brugia malayi cathepsin F-like cysteine proteinase 0.0186 0.1451 0.1451
Loa Loa (eye worm) hypothetical protein 0.0133 0.0941 0.0941
Onchocerca volvulus Cathepsin L homolog 0.0133 0.0941 0.1759
Loa Loa (eye worm) hypothetical protein 0.0186 0.1451 0.1451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Brugia malayi fibroinase precursor 0.0133 0.0941 0.0941
Giardia lamblia Cathepsin L-like protease 0.0133 0.0941 0.2515
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1077 1 1
Brugia malayi cathepsin L precursor 0.0133 0.0941 0.0941
Echinococcus granulosus cysteine protease 0.0319 0.2729 0.2729
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0593 0.5351 1
Onchocerca volvulus 0.0175 0.134 0.2504
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0133 0.0941 0.1759
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0133 0.0941 0.1759
Trichomonas vaginalis cdc25b, putative 0.0175 0.134 0.2504
Leishmania major cathepsin L-like protease 0.0593 0.5351 1
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0133 0.0941 0.1759
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Plasmodium vivax vivapain-2 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0133 0.0941 0.1759
Loa Loa (eye worm) hypothetical protein 0.0186 0.1451 0.1451
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0593 0.5351 0.5351
Plasmodium falciparum serine repeat antigen 5 0.0133 0.0941 0.1759
Schistosoma mansoni cathepsin s 0.0186 0.1451 0.1451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0319 0.2729 0.51
Entamoeba histolytica cysteine proteinase, putative 0.0593 0.5351 1
Plasmodium vivax vivapain-1 0.0319 0.2729 0.51
Echinococcus granulosus cathepsin l cysteine peptidase 0.0593 0.5351 0.5351
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0133 0.0941 0.0941
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2729 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0406 0.3563 0.3563
Echinococcus granulosus geminin 0.0178 0.1374 0.1374
Trypanosoma cruzi cysteine protease, putative 0.0319 0.2729 0.2729
Brugia malayi Cathepsin L-like precursor 0.0593 0.5351 0.5351
Echinococcus multilocularis cathepsin L 0.0319 0.2729 0.2729
Brugia malayi RNA binding protein 0.0061 0.0253 0.0253
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0175 0.134 0.134
Onchocerca volvulus 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Loa Loa (eye worm) hypothetical protein 0.0406 0.3563 0.3563
Onchocerca volvulus 0.0175 0.134 0.2504
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0253 0.0253
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Trypanosoma cruzi cruzipain precursor, putative 0.0593 0.5351 0.5351
Giardia lamblia Cysteine protease 0.0133 0.0941 0.2515
Echinococcus granulosus tar DNA binding protein 0.0061 0.0253 0.0253
Giardia lamblia Cathepsin L precursor 0.0133 0.0941 0.2515
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0133 0.0941 0.0941
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0593 0.5351 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0941 0.0941
Brugia malayi Papain family cysteine protease containing protein 0.0319 0.2729 0.2729
Schistosoma mansoni cathepsin B (C01 family) 0.0133 0.0941 0.0941
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0133 0.0941 0.1759
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0253 0.0253
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Giardia lamblia Hypothetical protein 0.0133 0.0941 0.2515
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 0.0941 0.0941
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0425 0.3743 0.6995
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0253 0.0253
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0253 0.0253
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0133 0.0941 0.0941
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0406 0.3563 0.6659
Loa Loa (eye worm) hypothetical protein 0.0175 0.134 0.134
Schistosoma mansoni hypothetical protein 0.0047 0.0119 0.0119
Plasmodium falciparum cysteine proteinase falcipain 1 0.0319 0.2729 0.51
Loa Loa (eye worm) hypothetical protein 0.0133 0.0941 0.0941
Loa Loa (eye worm) cysteine protease 0.0593 0.5351 0.5351
Echinococcus granulosus cathepsin b 0.1077 1 1
Plasmodium vivax unspecified product 0.0319 0.2729 0.51
Schistosoma mansoni cathepsin F (C01 family) 0.0406 0.3563 0.3563
Echinococcus granulosus microtubule associated protein 2 0.0726 0.663 0.663
Entamoeba histolytica cysteine protease, putative 0.0593 0.5351 1
Loa Loa (eye worm) ctsf protein 0.0593 0.5351 0.5351
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0133 0.0941 0.1759
Loa Loa (eye worm) fibroinase 0.0593 0.5351 0.5351
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0175 0.134 0.2504
Onchocerca volvulus 0.0175 0.134 0.2504
Onchocerca volvulus 0.0593 0.5351 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0119 0.0119
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0593 0.5351 1
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.1896 0.1896
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0175 0.134 0.2504
Loa Loa (eye worm) RNA binding protein 0.0061 0.0253 0.0253
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0175 0.134 0.134
Trichomonas vaginalis cdc25c, putative 0.0175 0.134 0.2504
Entamoeba histolytica rodhanase-like domain containing protein 0.0175 0.134 0.0904
Entamoeba histolytica cysteine protease, putative 0.0319 0.2729 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0593 0.5351 1
Schistosoma mansoni hypothetical protein 0.0178 0.1374 0.1374
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0593 0.5351 1

Activities

Activity type Activity value Assay description Source Reference
EC25 (functional) = 6 uM Concentration necessary for increase in time to contracture by 25% in the globally ischemic rat hearts ChEMBL. 7650676
IC50 (functional) = 6.3 uM Tested for the vasorelaxant potency in methoxamine contracted rat aorta ChEMBL. 7650676

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

1 literature reference was collected for this gene.

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