Detailed information for compound 607485

Basic information

Technical information
  • TDR Targets ID: 607485
  • Name: N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyl triazole-4-carboxamide
  • MW: 340.807 | Formula: C18H17ClN4O
  • H donors: 1 H acceptors: 3 LogP: 4.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)n1nnc(c1C)C(=O)Nc1ccccc1Cl
  • InChi: 1S/C18H17ClN4O/c1-3-13-8-10-14(11-9-13)23-12(2)17(21-22-23)18(24)20-16-7-5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H,20,24)
  • InChiKey: TUKDUIYHODMUCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyl-triazole-4-carboxamide
  • N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyl-4-triazolecarboxamide
  • N-(2-chlorophenyl)-1-(4-ethylphenyl)-5-methyl-1,2,3-triazole-4-carboxamide
  • ZINC02713325

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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0108732 0.0339194 0.00631194
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0108732 0.0339194 0.00197897
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0193807 0.267376 0.775544
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trypanosoma cruzi cysteine peptidase, putative 0.0193807 0.267376 0.243154
Echinococcus multilocularis integrin alpha 3 0.0128495 0.0881523 0.0580049
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Echinococcus granulosus cathepsin l cysteine peptidase 0.0193807 0.267376 0.243154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Schistosoma mansoni cathepsin F (C01 family) 0.0193807 0.267376 0.243154
Loa Loa (eye worm) hypothetical protein 0.0131264 0.0957516 0.0957516
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0218631 0.335497 0.313527
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0460784 1 1
Plasmodium vivax calpain, putative 0.0108732 0.0339194 0.00813872
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Schistosoma mansoni calpain-7 (C02 family) 0.0108732 0.0339194 0.00197897
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Giardia lamblia Cathepsin B precursor 0.0218631 0.335497 0.5
Onchocerca volvulus 0.0193807 0.267376 1
Onchocerca volvulus Cathepsin L homolog 0.0193807 0.267376 1
Schistosoma mansoni calpain (C02 family) 0.0108732 0.0339194 0.00197897
Loa Loa (eye worm) hypothetical protein 0.0113076 0.0458392 0.0458392
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0193807 0.267376 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Brugia malayi Cathepsin L-like precursor 0.0135325 0.106895 0.0773673
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Trypanosoma brucei calpain-like protein, putative 0.0108732 0.0339194 0.00631194
Plasmodium vivax vivapain-2 0.0193807 0.267376 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108732 0.0339194 0.00197897
Brugia malayi Cathepsin L-like precursor 0.0193807 0.267376 0.243154
Onchocerca volvulus 0.0193807 0.267376 1
Echinococcus granulosus calpain 0.0108732 0.0339194 0.00197897
Plasmodium falciparum cysteine proteinase falcipain 3 0.0193807 0.267376 1
Schistosoma mansoni cathepsin F (C01 family) 0.0135325 0.106895 0.0773673
Brugia malayi calpain family protein 1 0.0239892 0.39384 0.373799
Loa Loa (eye worm) calpain family protein 1 0.0174431 0.214207 0.214207
Onchocerca volvulus 0.0193807 0.267376 1
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0108732 0.0339194 0.00197897
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Loa Loa (eye worm) hypothetical protein 0.0135325 0.106895 0.106895
Brugia malayi Integrin alpha pat-2 precursor 0.0163388 0.183904 0.156922
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Loa Loa (eye worm) hypothetical protein 0.0193807 0.267376 0.267376
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0108732 0.0339194 0.00197897
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0108732 0.0339194 0.00631194
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Giardia lamblia Cathepsin B precursor 0.0218631 0.335497 0.5
Loa Loa (eye worm) calpain 0.0108732 0.0339194 0.0339194
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0108732 0.0339194 0.00197897
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Brugia malayi Cathepsin L-like precursor 0.0193807 0.267376 0.243154
Brugia malayi cathepsin L-like precursor 0.0135325 0.106895 0.0773673
Onchocerca volvulus 0.0193807 0.267376 1
Trypanosoma brucei calpain-like protein, putative 0.0108732 0.0339194 0.00631194
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Loa Loa (eye worm) hypothetical protein 0.019662 0.275096 0.275096
Loa Loa (eye worm) hypothetical protein 0.0239892 0.39384 0.39384
Entamoeba histolytica cysteine proteinase, putative 0.0193807 0.267376 1
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0245125 0.408202 0.388636
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0108732 0.0339194 0.00197897
Onchocerca volvulus 0.0193807 0.267376 1
Brugia malayi Papain family cysteine protease containing protein 0.0193807 0.267376 0.243154
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0193807 0.267376 0.243154
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0193807 0.267376 0.267376
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Loa Loa (eye worm) hypothetical protein 0.0460784 1 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0460784 1 1
Echinococcus granulosus calpain 5 0.0108732 0.0339194 0.00197897
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Echinococcus multilocularis calpain A 0.0245125 0.408202 0.388636
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Brugia malayi Cathepsin L-like cysteine proteinase 0.0135325 0.106895 0.0773673
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0135325 0.106895 0.246764
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0460784 1 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0113076 0.0458392 0.0142928
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0193807 0.267376 0.267376
Echinococcus granulosus integrin alpha 3 0.0128495 0.0881523 0.0580049
Echinococcus granulosus cathepsin b 0.0460784 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0193807 0.267376 0.243154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trypanosoma brucei calpain-like protein, putative 0.0108732 0.0339194 0.00631194
Brugia malayi calpain family protein 1 0.0239892 0.39384 0.373799
Brugia malayi Cathepsin L-like precursor 0.0193807 0.267376 0.243154
Loa Loa (eye worm) fibroinase 0.0193807 0.267376 0.267376
Schistosoma mansoni calpain-7 (C02 family) 0.0108732 0.0339194 0.00197897
Schistosoma mansoni Mername-AA248 (C02 family) 0.0108732 0.0339194 0.00197897
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Leishmania major cysteine peptidase A (CPA) 0.0193807 0.267376 0.774119
Echinococcus granulosus cathepsin l1 0.0135325 0.106895 0.0773673
Loa Loa (eye worm) cysteine protease 0.0193807 0.267376 0.267376
Trypanosoma cruzi cysteine peptidase, putative 0.0193807 0.267376 0.243154
Trypanosoma brucei cysteine peptidase C (CPC) 0.0218631 0.335497 1
Plasmodium vivax vivapain-2 0.0193807 0.267376 1
Entamoeba histolytica cysteine protease, putative 0.0193807 0.267376 1
Onchocerca volvulus 0.0193807 0.267376 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0193807 0.267376 0.775544
Echinococcus granulosus cathepsin b 0.0460784 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Onchocerca volvulus Cathepsin L homolog 0.0193807 0.267376 1
Echinococcus multilocularis calpain 0.0108732 0.0339194 0.00197897
Trypanosoma brucei calpain-like protein, putative 0.0108732 0.0339194 0.00631194
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Loa Loa (eye worm) hypothetical protein 0.0174431 0.214207 0.214207
Brugia malayi Cathepsin L-like precursor 0.0135325 0.106895 0.0773673
Onchocerca volvulus 0.0193807 0.267376 1
Echinococcus multilocularis calpain 7 (C02 family) 0.0108732 0.0339194 0.00197897
Loa Loa (eye worm) ctsf protein 0.0193807 0.267376 0.267376
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0218631 0.335497 1
Echinococcus granulosus calpain 7 C02 family 0.0108732 0.0339194 0.00197897
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0460784 1 1
Brugia malayi Cathepsin L-like precursor 0.0193807 0.267376 0.243154
Echinococcus granulosus cathepsin l1 0.0193807 0.267376 0.243154
Echinococcus multilocularis cathepsin b 0.0460784 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0245125 0.408202 0.388636
Loa Loa (eye worm) integrin alpha pat-2 0.024434 0.406048 0.406048
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0135325 0.106895 0.246764
Giardia lamblia Cathepsin B precursor 0.0218631 0.335497 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Echinococcus multilocularis calpain 5 0.0108732 0.0339194 0.00197897
Onchocerca volvulus 0.0135325 0.106895 0.0664972
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0239892 0.39384 0.373799
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Echinococcus multilocularis cathepsin L cysteine protease 0.0193807 0.267376 0.243154
Loa Loa (eye worm) calpain family protein 1 0.0239892 0.39384 0.39384
Trypanosoma brucei antigen, putative 0.0108732 0.0339194 0.00631194
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0135325 0.106895 0.0773673
Echinococcus multilocularis cysteine protease 0.0193807 0.267376 0.243154
Echinococcus granulosus cathepsin L cysteine proteinase 0.0193807 0.267376 0.243154
Echinococcus multilocularis cysteine protease 0.0193807 0.267376 0.243154
Echinococcus multilocularis cathepsin L cysteine protease 0.0193807 0.267376 0.243154
Brugia malayi Cathepsin L-like precursor 0.0193807 0.267376 0.243154
Trypanosoma cruzi cruzipain precursor, putative 0.0193807 0.267376 0.243154
Loa Loa (eye worm) hypothetical protein 0.0135325 0.106895 0.106895
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0460784 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trypanosoma cruzi cysteine peptidase, putative 0.0193807 0.267376 0.243154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Entamoeba histolytica cysteine proteinase, putative 0.0135325 0.106895 0.318182
Loa Loa (eye worm) hypothetical protein 0.0131159 0.0954633 0.0954633
Echinococcus multilocularis hypothetical protein 0.0108732 0.0339194 0.00197897
Loa Loa (eye worm) cathepsin B 0.0218631 0.335497 0.335497
Brugia malayi Cathepsin L-like precursor 0.0193807 0.267376 0.243154
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108732 0.0339194 0.00197897
Echinococcus granulosus calpain A 0.0245125 0.408202 0.388636
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0193807 0.267376 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0245125 0.408202 0.388636
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0193807 0.267376 0.243154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0218631 0.335497 0.313527
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544
Loa Loa (eye worm) hypothetical protein 0.0135325 0.106895 0.106895
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0245125 0.408202 0.388636
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108732 0.0339194 0.00197897
Onchocerca volvulus Cathepsin F homolog 0.0193807 0.267376 1
Schistosoma mansoni integrin alpha 0.0163388 0.183904 0.156922
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108732 0.0339194 0.00197897
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0218631 0.335497 1
Leishmania major cathepsin L-like protease 0.0193807 0.267376 0.774119
Echinococcus multilocularis calpain family protein 1, d 0.0174431 0.214207 0.188227
Schistosoma mansoni cathepsin F (C01 family) 0.0193807 0.267376 0.243154
Entamoeba histolytica cysteine proteinase, putative 0.0193807 0.267376 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Brugia malayi calpain 7 0.0108732 0.0339194 0.00197897
Echinococcus granulosus calpain A 0.0108732 0.0339194 0.00197897
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0460784 1 1
Toxoplasma gondii cathepsin B 0.0218631 0.335497 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0108732 0.0339194 0.00197897
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0193807 0.267376 0.775544
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0193807 0.267376 0.775544
Schistosoma mansoni calpain C (C02 family) 0.0108732 0.0339194 0.00197897
Echinococcus multilocularis cathepsin b 0.0460784 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0193807 0.267376 0.775544

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 10 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 10 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.0775 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.0775 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) > 1.681 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) > 1.681 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.02857 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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