Detailed information for compound 1342536

Basic information

Technical information
  • TDR Targets ID: 1342536
  • Name: N-(1-cyanocyclohexyl)-2-[(4-methyl-5-pyridin- 3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
  • MW: 356.445 | Formula: C17H20N6OS
  • H donors: 1 H acceptors: 5 LogP: 1.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1(CCCCC1)NC(=O)CSc1nnc(n1C)c1cccnc1
  • InChi: 1S/C17H20N6OS/c1-23-15(13-6-5-9-19-10-13)21-22-16(23)25-11-14(24)20-17(12-18)7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,24)
  • InChiKey: OUEFVGUQJZEDGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(1-cyanocyclohexyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • T5443303
  • ZINC06607565

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
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0154 0.119 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0116 0.0807 0.0987
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0267 0.0327
Brugia malayi RNA binding protein 0.0063 0.0267 0.0267
Brugia malayi Rhodanese-like domain containing protein 0.0114 0.0779 0.0779
Echinococcus granulosus Niemann Pick C1 protein 0.0116 0.0807 0.1185
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0114 0.0779 0.0953
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0283 0.2502 0.3675
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0267 0.0267
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0283 0.2502 0.306
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0154 0.119 1
Echinococcus multilocularis geminin 0.0354 0.3227 0.3946
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0116 0.0807 0.0739
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0154 0.119 0.5
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0283 0.2502 0.4682
Echinococcus multilocularis microtubule associated protein 2 0.0705 0.6809 0.8327
Schistosoma mansoni microtubule-associated protein tau 0.0705 0.6809 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.036 0.3288 0.4021
Loa Loa (eye worm) hypothetical protein 0.0069 0.0324 0.0252
Loa Loa (eye worm) hypothetical protein 0.0105 0.0689 0.0619
Loa Loa (eye worm) hypothetical protein 0.0105 0.0689 0.0619
Onchocerca volvulus 0.0114 0.0779 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0253 0.0371
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0074 0.0108
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0114 0.0779 0.0711
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0133 0.0972 0.4707
Echinococcus multilocularis tumor protein p63 0.0345 0.314 0.384
Schistosoma mansoni hypothetical protein 0.0354 0.3227 0.474
Echinococcus granulosus sterol regulatory element binding protein 0.0116 0.0807 0.1185
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0267 0.0392
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0283 0.2502 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.0779 0.0711
Echinococcus multilocularis sterol regulatory element binding protein 0.0116 0.0807 0.0987
Loa Loa (eye worm) hypothetical protein 0.0116 0.0807 0.0739
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0253 0.0371
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0649 0.058
Echinococcus granulosus tar DNA binding protein 0.0063 0.0267 0.0392
Mycobacterium ulcerans hydrolase/amidase 0.0533 0.5057 1
Onchocerca volvulus 0.0114 0.0779 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0839 0.8177 1
Schistosoma mansoni hypothetical protein 0.0354 0.3227 0.474
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.036 0.3288 0.4829
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0154 0.119 1
Schistosoma mansoni hypothetical protein 0.0069 0.0324 0.0476
Brugia malayi Protein-tyrosine phosphatase containing protein 0.036 0.3288 0.3288
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0283 0.2502 1
Onchocerca volvulus 0.0114 0.0779 1
Loa Loa (eye worm) hypothetical protein 0.0283 0.2502 0.2447
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0283 0.2502 0.5
Brugia malayi TAR-binding protein 0.0063 0.0267 0.0267
Treponema pallidum uridine phosphorylase (udp) 0.0154 0.119 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0253 0.0371
Echinococcus granulosus tumor protein p63 0.0345 0.314 0.4612
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0074 0.0108
Echinococcus granulosus geminin 0.0354 0.3227 0.474
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.0779 0.6548
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0253 0.0309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0074 0.0108
Echinococcus granulosus Protein patched homolog 1 0.0116 0.0807 0.1185
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0267 0.0392
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0114 0.0779 0.1144
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0283 0.2502 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0074 0.0108
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0267 0.0392
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0074 0.0074
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0133 0.0972 0.4707
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0154 0.119 1
Onchocerca volvulus 0.0114 0.0779 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0133 0.0972 0.5
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0283 0.2502 0.2502
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0116 0.0807 0.1185
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0267 0.0392
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0074 0.009
Loa Loa (eye worm) hypothetical protein 0.1018 1 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.0154 0.119 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0136 0.0062
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0267 0.0392
Brugia malayi CHE-14 protein 0.0116 0.0807 0.0807
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0133 0.0972 0.4707
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0267 0.0195
Plasmodium falciparum purine nucleoside phosphorylase 0.0154 0.119 0.5
Echinococcus granulosus microtubule associated protein 2 0.0705 0.6809 1
Echinococcus multilocularis protein patched 0.0116 0.0807 0.0987
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.036 0.3288 0.4829
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0283 0.2502 0.3675
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.0779 0.6548
Echinococcus multilocularis protein dispatched 1 0.0116 0.0807 0.0987
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0074 0.0108
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0136 0.0199
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0267 0.0195
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0807 0.0676
Brugia malayi Rhodanese-like domain containing protein 0.0114 0.0779 0.0779
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0649 0.0649
Loa Loa (eye worm) RNA binding protein 0.0063 0.0267 0.0195
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0324 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0074 0.009
Loa Loa (eye worm) hypothetical protein 0.0101 0.0649 0.058
Entamoeba histolytica rodhanase-like domain containing protein 0.0114 0.0779 0.6548
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0114 0.0779 0.1144
Schistosoma mansoni patched 1 0.0116 0.0807 0.1185
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0154 0.119 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.036 0.3288 0.3238
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0253 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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