Detailed information for compound 1440561

Basic information

Technical information
  • TDR Targets ID: 1440561
  • Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-y l)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)prop anamide
  • MW: 360.457 | Formula: C15H16N6OS2
  • H donors: 1 H acceptors: 5 LogP: 1.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Sc1nnc(n1C)c1ccncc1)C)Nc1scc(n1)C
  • InChi: 1S/C15H16N6OS2/c1-9-8-23-14(17-9)18-13(22)10(2)24-15-20-19-12(21(15)3)11-4-6-16-7-5-11/h4-8,10H,1-3H3,(H,17,18,22)
  • InChiKey: IVHHKMJMEPHVLG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)propanamide
  • 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-thiazolyl)propanamide
  • 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylthiazol-2-yl)propionamide
  • ASN 15038312
  • STK230758

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470

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
Echinococcus granulosus serotonin transporter 0.0272 0.9438 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0046 0.0405 0.0429
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Plasmodium falciparum amino acid transporter, putative 0.0046 0.0405 0.5
Loa Loa (eye worm) hypothetical protein 0.0272 0.9438 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0046 0.0405 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0046 0.0405 0.0429
Echinococcus multilocularis sodium and chloride dependent glycine 0.0046 0.0405 0.0429
Echinococcus granulosus sodium and chloride dependent glycine 0.0046 0.0405 0.0429
Trichomonas vaginalis set domain proteins, putative 0.0286 1 0.5
Onchocerca volvulus 0.0046 0.0405 0.0405
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0046 0.0405 0.0429
Schistosoma mansoni sodium-dependent amino acid transporter 0.0046 0.0405 0.0429
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0046 0.0405 1
Onchocerca volvulus 0.0046 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0272 0.9438 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0046 0.0405 0.0429
Schistosoma mansoni sodium/chloride dependent transporter 0.0046 0.0405 0.0429
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0046 0.0405 1
Brugia malayi hypothetical protein 0.0106 0.2815 0.2982
Onchocerca volvulus 0.0272 0.9438 0.9438
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0046 0.0405 0.0429
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Echinococcus granulosus sodium and chloride dependent glycine 0.0046 0.0405 0.0429
Plasmodium vivax hypothetical protein, conserved 0.0046 0.0405 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0272 0.9438 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0046 0.0405 0.0429
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0046 0.0405 0.0429
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0046 0.0405 0.0429
Loa Loa (eye worm) hypothetical protein 0.0106 0.2815 0.2982
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0046 0.0405 0.0429
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0046 0.0405 0.0429
Loa Loa (eye worm) serotonin transporter b 0.0272 0.9438 1
Plasmodium falciparum transporter, putative 0.0046 0.0405 0.5
Onchocerca volvulus 0.0046 0.0405 0.0405
Loa Loa (eye worm) norepinephrine transporter 0.0272 0.9438 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.2815 0.2982
Schistosoma mansoni eyes absent homolog 0.0106 0.2815 0.2982
Plasmodium vivax amine transporter, putative 0.0046 0.0405 1
Brugia malayi hypothetical protein 0.0046 0.0405 0.0429
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Echinococcus multilocularis sodium and chloride dependent glycine 0.0046 0.0405 0.0429
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0272 0.9438 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0046 0.0405 0.5
Toxoplasma gondii hypothetical protein 0.0046 0.0405 1
Toxoplasma gondii hypothetical protein 0.0046 0.0405 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0046 0.0405 0.0429
Loa Loa (eye worm) solute carrier family 6 member 4 0.0272 0.9438 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0405 0.0429
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0046 0.0405 0.0429
Loa Loa (eye worm) hypothetical protein 0.0272 0.9438 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8611 0.9124
Brugia malayi Pre-SET motif family protein 0.0251 0.8611 0.9124
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0046 0.0405 0.0429
Loa Loa (eye worm) hypothetical protein 0.0272 0.9438 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0046 0.0405 0.0429
Treponema pallidum sodium- and chloride- dependent transporter 0.0272 0.9438 0.5
Echinococcus multilocularis serotonin transporter 0.0272 0.9438 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0046 0.0405 0.0429

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference

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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