Detailed information for compound 1585483

Basic information

Technical information
  • TDR Targets ID: 1585483
  • Name: 5-[(3-methylphenyl)methyl]-2-[(6-methylpyridi n-2-yl)amino]-1,3-thiazol-4-one
  • MW: 311.401 | Formula: C17H17N3OS
  • H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CC1SC(=NC1=O)Nc1cccc(n1)C
  • InChi: 1S/C17H17N3OS/c1-11-5-3-7-13(9-11)10-14-16(21)20-17(22-14)19-15-8-4-6-12(2)18-15/h3-9,14H,10H2,1-2H3,(H,18,19,20,21)
  • InChiKey: VPKAOIWFSMGTSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridyl)amino]thiazol-4-one
  • 5-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridyl)amino]-4-thiazolone
  • 5-(3-methylbenzyl)-2-[(6-methyl-2-pyridyl)amino]thiazol-4-one
  • STOCK2S-89447
  • 5-(3-Methyl-benzyl)-2-[(Z)-6-methyl-pyridin-2-ylimino]-thiazolidin-4-one
  • MLS000768481
  • SMR000431802

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
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0021 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.1185 0.1185
Echinococcus granulosus acetylcholinesterase 0.0124 0.7655 0.7912
Echinococcus multilocularis acetylcholinesterase 0.0124 0.7655 0.7655
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.1185 0.1185
Mycobacterium ulcerans carboxylesterase, LipT 0.0021 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.1185 0.1185
Onchocerca volvulus 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.1185 0.1185
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.1842 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0156 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.7655 0.7655
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.1185 0.1185
Echinococcus granulosus acetylcholinesterase 0.0124 0.7655 0.7912
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.1842 0.5
Echinococcus multilocularis acetylcholinesterase 0.0124 0.7655 0.7655
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.1842 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.1185 0.1225
Echinococcus multilocularis carboxylesterase 5A 0.0124 0.7655 0.7655
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.1559 0.5
Onchocerca volvulus 0.0021 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.1842 0.5
Brugia malayi Carboxylesterase family protein 0.0124 0.7655 0.7655
Onchocerca volvulus 0.0021 0 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.9676 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0021 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.1559 0.5
Loa Loa (eye worm) carboxylesterase 0.0124 0.7655 0.7655
Onchocerca volvulus 0.0021 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0124 0.7655 0.7655
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.1185 0.1185
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.1559 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.1185 0.1185
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.1842 1
Loa Loa (eye worm) acetyltransferase 0.0156 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.7655 0.7655
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0156 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0124 0.7655 0.7655
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.1842 0.1904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.1185 0.1225
Brugia malayi Carboxylesterase family protein 0.0124 0.7655 0.7655
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0021 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0124 0.7655 0.7912

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0522 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.2512 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
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 1.0418 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
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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