Detailed information for compound 1430366

Basic information

Technical information
  • TDR Targets ID: 1430366
  • Name: N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5- pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acet amide
  • MW: 374.484 | Formula: C16H18N6OS2
  • H donors: 1 H acceptors: 5 LogP: 2.36 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(SCC(=O)Nc2scc(n2)C)nnc1c1cccnc1
  • InChi: 1S/C16H18N6OS2/c1-3-7-22-14(12-5-4-6-17-8-12)20-21-16(22)25-10-13(23)19-15-18-11(2)9-24-15/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,23)
  • InChiKey: SRRAYYSNGVWCLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-methylthiazol-2-yl)-2-[[4-propyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(4-methyl-2-thiazolyl)-2-[[4-propyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(4-methylthiazol-2-yl)-2-[[4-propyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • MLS000032621
  • N-(4-Methyl-thiazol-2-yl)-2-(4-propyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
  • SMR000005846
  • ZINC01362416
  • ASN 05942499

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
Brugia malayi RNA binding protein 0.0068 0.3052 0.7205
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1899 0.3472
Loa Loa (eye worm) hypothetical protein 0.0037 0.1135 0.2027
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0456 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1899 0.4245
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0456 1
Loa Loa (eye worm) glutamate receptor 0.0034 0.0963 0.1702
Schistosoma mansoni metabotropic glutamate receptor 0.0042 0.1456 0.0362
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0456 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0456 0.054
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3052 0.2162
Schistosoma mansoni hypothetical protein 0.0183 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0456 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0456 0.054
Loa Loa (eye worm) hypothetical protein 0.0054 0.2168 0.3981
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0456 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0063 0.139
Loa Loa (eye worm) hypothetical protein 0.0022 0.0246 0.0345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1899 0.0862
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0078 0.3648 0.8736
Onchocerca volvulus 0.0026 0.0456 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.535 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0456 0.0742
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.2168 0.4936
Loa Loa (eye worm) glutamate receptor 0.0086 0.414 0.7711
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0456 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0063 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0456 1
Loa Loa (eye worm) RNA binding protein 0.0068 0.3052 0.5652
Loa Loa (eye worm) TAR-binding protein 0.0068 0.3052 0.5652
Echinococcus granulosus tar DNA binding protein 0.0068 0.3052 0.1423
Brugia malayi metabotropic glutamate receptor type 2 0.0042 0.1456 0.3107
Echinococcus granulosus metabotropic glutamate receptor 5 0.0106 0.535 0.426
Mycobacterium ulcerans hypothetical protein 0.0026 0.0456 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1899 0.0862
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0072 0.329 0.1717
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.2168 0.4936
Loa Loa (eye worm) hypothetical protein 0.0026 0.0456 0.0742
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0456 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0456 0.054
Loa Loa (eye worm) hypothetical protein 0.0026 0.0456 0.0742
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3052 0.2162
Echinococcus granulosus metabotropic glutamate receptor 2 0.0072 0.329 0.1717
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0456 1
Brugia malayi TAR-binding protein 0.0068 0.3052 0.7205
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0063 0.5
Echinococcus multilocularis geminin 0.0183 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0086 0.414 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0022 0.0246 0.0345
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0063 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0456 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1135 0.2283
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0456 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.2168 0.3981
Schistosoma mansoni metabotropic glutamate receptor 0.0072 0.329 0.2431
Echinococcus multilocularis tar DNA binding protein 0.0068 0.3052 0.1423
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0098 0.4858 0.42
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.3052 0.5652
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0456 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.3052 0.7205
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0456 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0456 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0106 0.535 0.426
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0456 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3052 0.2162
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0456 0.5
Schistosoma mansoni hypothetical protein 0.0183 1 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3052 0.2162
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0456 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0022 0.0246 0.0345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1899 0.0862
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3052 0.2162

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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