Detailed information for compound 983358

Basic information

Technical information
  • TDR Targets ID: 983358
  • Name: 5-(5-phenylbenzotriazol-1-yl)-2H-triazole-4-c arboxamide
  • MW: 305.294 | Formula: C15H11N7O
  • H donors: 2 H acceptors: 5 LogP: 1.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1nn[nH]c1n1nnc2c1ccc(c2)c1ccccc1
  • InChi: 1S/C15H11N7O/c16-14(23)13-15(19-20-18-13)22-12-7-6-10(8-11(12)17-21-22)9-4-2-1-3-5-9/h1-8H,(H2,16,23)(H,18,19,20)
  • InChiKey: QWYRJKKVNVPOHX-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(5-phenyl-1-benzotriazolyl)-2H-triazole-4-carboxamide
  • 5-(5-phenylbenzotriazol-1-yl)-2H-1,2,3-triazole-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium large conductance calcium-activated channel, subfamily M, alpha member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05390 potassium large conductance calcium-activated channel, subfamily M,, putative Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum IPR003929,Calcium-activated BK potassium channel, alpha subunit,domain-containing Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus multilocularis calcium activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus multilocularis calcium activated potassium channel variant Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus granulosus calcium activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum Calcium-activated potassium channel slo-1, putative Get druggable targets OG5_130388 All targets in OG5_130388
Loa Loa (eye worm) MaxiK calcium-activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus granulosus calcium activated potassium channel variant Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus granulosus potassium large conductance calcium activated Get druggable targets OG5_130388 All targets in OG5_130388
Echinococcus multilocularis potassium large conductance calcium activated Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma mansoni calcium-activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma japonicum expressed protein Get druggable targets OG5_130388 All targets in OG5_130388
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130388 All targets in OG5_130388
Schistosoma mansoni calcium-activated potassium channel Get druggable targets OG5_130388 All targets in OG5_130388
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai Get druggable targets OG5_130388 All targets in OG5_130388

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
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0135 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0 0.5
Echinococcus granulosus potassium large conductance calcium activated 0.0056 0.2958 0.2958
Echinococcus multilocularis calcium activated potassium channel 0.0056 0.2958 0.2958
Onchocerca volvulus 0.0023 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0135 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0 0.5
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0052 0.2609 0.2609
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0 0.5
Onchocerca volvulus 0.0023 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0135 1 1
Echinococcus granulosus calcium activated potassium channel variant 0.0052 0.2609 0.2609
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Schistosoma mansoni calcium-activated potassium channel 0.0052 0.2609 0.2609
Brugia malayi Carboxylesterase family protein 0.0135 1 1
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.0037 0.1282 0.1282
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Onchocerca volvulus 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1282 0.1282
Echinococcus multilocularis calcium activated potassium channel variant 0.0052 0.2609 0.2609
Echinococcus multilocularis acetylcholinesterase 0.0135 1 1
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0037 0.1282 0.1282
Onchocerca volvulus 0.0023 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0135 1 1
Echinococcus granulosus acetylcholinesterase 0.0135 1 1
Echinococcus granulosus acetylcholinesterase 0.0135 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0135 1 1
Echinococcus granulosus calcium activated potassium channel 0.0056 0.2958 0.2958
Echinococcus multilocularis acetylcholinesterase 0.0135 1 1
Echinococcus multilocularis potassium large conductance calcium activated 0.0056 0.2958 0.2958
Onchocerca volvulus 0.0023 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0056 0.2958 0.2958

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.06 Activation of BK channel-mediated vasorelaxation activity assessed as reduction in KCl-induced contractile tone ChEMBL. 19026552

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

1 literature reference was collected for this gene.

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