Detailed information for compound 739636

Basic information

Technical information
  • TDR Targets ID: 739636
  • Name: 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol -3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
  • MW: 497.011 | Formula: C28H21ClN4OS
  • H donors: 1 H acceptors: 3 LogP: 6.75 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl
  • InChi: 1S/C28H21ClN4OS/c29-22-13-9-12-21(18-22)27-31-32-28(33(27)23-14-5-2-6-15-23)35-19-26(34)30-25-17-8-7-16-24(25)20-10-3-1-4-11-20/h1-18H,19H2,(H,30,34)
  • InChiKey: ISHFQFCIUBOYOX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide
  • 2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)ethanamide
  • CBKinase1_008685
  • CBKinase1_021085
  • ST5416014

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
Loa Loa (eye worm) inositol-1 0.0037 0.3132 0.3255
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0535 0.0679
Loa Loa (eye worm) hypothetical protein 0.0043 0.4163 0.4395
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.724 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0535 0.0739
Loa Loa (eye worm) hypothetical protein 0.0071 0.9228 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.3132 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.2434 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.3132 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.3132 0.4326
Schistosoma mansoni hypothetical protein 0.0021 0.0191 0.0242
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.3132 0.5
Brugia malayi Inositol-1 0.0037 0.3132 0.2401
Schistosoma mansoni inositol monophosphatase 0.0037 0.3132 0.3972
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3132 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.2434 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.5463 0.4979
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.3132 0.4326
Loa Loa (eye worm) hypothetical protein 0.0038 0.3391 0.3541
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.2617 0.183
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.2951 0.4076
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0535 0.0739
Loa Loa (eye worm) hypothetical protein 0.0034 0.2617 0.2684
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.3132 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.3132 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.5463 0.4979
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.2951 0.4076
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.5463 0.5833
Loa Loa (eye worm) hypothetical protein 0.0041 0.3818 0.4014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.724 1
Schistosoma mansoni hypothetical protein 0.0034 0.2617 0.3318
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.3132 0.5
Schistosoma mansoni bromodomain containing protein 0.0063 0.7886 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.3132 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.5463 0.5833
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3132 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3132 0.5
Brugia malayi Bromodomain containing protein 0.0038 0.3378 0.2673
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3132 0.5
Schistosoma mansoni inositol monophosphatase 0.0037 0.3132 0.3972

Activities

No activities found for this compound.

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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