Detailed information for compound 607800

Basic information

Technical information
  • TDR Targets ID: 607800
  • Name: (5Z)-5-[(4-dimethylaminophenyl)methylidene]-2 -[(3-methylphenyl)amino]-1,3-thiazol-4-one
  • MW: 337.439 | Formula: C19H19N3OS
  • H donors: 1 H acceptors: 1 LogP: 4.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N=C1NC(=O)C(=Cc2ccc(cc2)N(C)C)S1
  • InChi: 1S/C19H19N3OS/c1-13-5-4-6-15(11-13)20-19-21-18(23)17(24-19)12-14-7-9-16(10-8-14)22(2)3/h4-12H,1-3H3,(H,20,21,23)/b17-12-
  • InChiKey: GPJGQJWUWZTGPT-ATVHPVEESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-5-[(4-dimethylaminophenyl)methylene]-2-[(3-methylphenyl)amino]thiazol-4-one
  • (5Z)-5-[(4-dimethylaminophenyl)methylene]-2-[(3-methylphenyl)amino]-4-thiazolone
  • (5Z)-5-(4-dimethylaminobenzylidene)-2-[(3-methylphenyl)amino]thiazol-4-one
  • ZINC05533006

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) hypothetical protein 0.0023 0.0805 0.196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.234 0.2092
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0313 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0805 0.196
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0805 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0805 0.066
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.254 0.2985
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0313 0.5
Trypanosoma brucei trypanothione reductase 0.0047 0.254 1
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.09 0.2634
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.254 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.234 0.9101
Toxoplasma gondii thioredoxin reductase 0.0047 0.254 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.6906 0.8837
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.09 0.2634
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.6906 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.7773 1
Treponema pallidum NADH oxidase 0.0016 0.0313 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0383 0.031
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0805 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0805 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0383 0.0093
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0805 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.09 0.2634
Plasmodium vivax glutathione reductase, putative 0.0047 0.254 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.254 1
Brugia malayi hypothetical protein 0.0024 0.09 0.3543
Brugia malayi hypothetical protein 0.0016 0.0274 0.1077
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.254 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0805 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0805 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0805 0.221
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0383 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.6906 0.8755
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0805 0.066
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.7773 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.254 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.6906 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.234 0.2092
Mycobacterium tuberculosis Probable reductase 0.0107 0.6906 0.8837
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0314 0.0001
Leishmania major trypanothione reductase 0.0047 0.254 1
Onchocerca volvulus 0.0023 0.0805 0.5
Plasmodium falciparum thioredoxin reductase 0.0047 0.254 1
Plasmodium falciparum glutathione reductase 0.0047 0.254 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.234 0.9101
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0313 0.1234
Brugia malayi Thioredoxin reductase 0.0047 0.254 1
Brugia malayi glutathione reductase 0.0047 0.254 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0805 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0805 0.221
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0805 0.3171
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.254 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0314 0.0001
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.09 0.2634
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.234 0.9101
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0805 1
Leishmania major hypothetical protein, conserved 0.0024 0.09 0.2634
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0805 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.254 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0313 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.7773 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.234 0.9212
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0314 0.0001
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.09 0.2634
Loa Loa (eye worm) hypothetical protein 0.0023 0.0805 0.196
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.234 0.9072
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.09 0.2634
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.7773 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.6906 0.8837
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0805 0.3171
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.234 0.9101
Loa Loa (eye worm) hypothetical protein 0.0024 0.09 0.2398
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0805 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.09 0.2634
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0383 0.031
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0313 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0314 0.0001
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0383 0.1405
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0805 0.221
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0805 0.3171
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0805 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.234 0.2092
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.6906 0.8837

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.508 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 1.182 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.