Detailed information for compound 797545

Basic information

Technical information
  • TDR Targets ID: 797545
  • Name: 4-(4-dimethylaminophenyl)-6-oxo-2-sulfanylide ne-3H-pyrimidine-5-carbonitrile
  • MW: 272.326 | Formula: C13H12N4OS
  • H donors: 1 H acceptors: 4 LogP: 2.72 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(O)nc(nc1c1ccc(cc1)N(C)C)S
  • InChi: 1S/C13H12N4OS/c1-17(2)9-5-3-8(4-6-9)11-10(7-14)12(18)16-13(19)15-11/h3-6H,1-2H3,(H2,15,16,18,19)
  • InChiKey: NZCHSGKDKQKDBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-dimethylaminophenyl)-6-oxo-2-thioxo-3H-pyrimidine-5-carbonitrile
  • 4-(4-dimethylaminophenyl)-6-keto-2-thioxo-3H-pyrimidine-5-carbonitrile
  • 5185-15-9
  • IDI1_025024
  • ChemDiv3_007114
  • Oprea1_219896
  • 4-[4-(Dimethylamino)phenyl]-6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarbonitrile
  • Pyrimidine-5-carbonitrile, 3,4-dihydro-6-(dimethylaminophenyl)-2-mercapto-4-oxo-
  • ZINC03683779

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 0.0036 0.0553 0.1443
Echinococcus granulosus tissue type plasminogen activator 0.0056 0.1175 0.6282
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0021 0.0094 0.0262
Toxoplasma gondii kringle domain-containing protein 0.0056 0.1175 0.1133
Loa Loa (eye worm) hypothetical protein 0.0036 0.0553 0.1443
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.1142 0.2101
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0077 0.1842 1
Echinococcus multilocularis casein kinase ii subunit beta 0.0077 0.1842 1
Onchocerca volvulus 0.0056 0.1175 0.6282
Loa Loa (eye worm) hypothetical protein 0.0036 0.0553 0.1443
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0021 0.0094 0.0221
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0094 0.0221
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0022 0.0125 0.0058
Loa Loa (eye worm) hypothetical protein 0.0073 0.1725 0.4565
Plasmodium falciparum enoyl-acyl carrier reductase 0.0189 0.5392 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1725 0.4565
Toxoplasma gondii microneme protein MIC17C 0.0036 0.0553 0.0509
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1725 0.9362
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0073 0.1725 0.3079
Toxoplasma gondii subtilisin SUB12 0.0036 0.0553 0.0509
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0077 0.1842 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0189 0.5392 1
Toxoplasma gondii propionate-CoA ligase 0.0021 0.0094 0.0047
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0138 0.3766 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Onchocerca volvulus 0.0036 0.0553 0.282
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0021 0.0094 0.0262
Onchocerca volvulus 0.0036 0.0553 0.282
Onchocerca volvulus 0.0036 0.0553 0.282
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0077 0.1842 1
Plasmodium vivax casein kinase II beta chain, putative 0.0077 0.1842 0.3403
Loa Loa (eye worm) hypothetical protein 0.0055 0.1142 0.301
Echinococcus granulosus casein kinase ii subunit beta 0.0077 0.1842 1
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1725 0.4565
Loa Loa (eye worm) hypothetical protein 0.0021 0.0094 0.0221
Onchocerca volvulus 0.0021 0.0094 0.0262
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0094 0.0221
Onchocerca volvulus 0.0036 0.0553 0.282
Plasmodium falciparum casein kinase II beta chain 0.0077 0.1842 0.3403
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0094 0.0262
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.1047 0.1943
Onchocerca volvulus 0.0073 0.1725 0.9349
Toxoplasma gondii hypothetical protein 0.0036 0.0553 0.0509
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.1725 0.3079
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0022 0.0125 0.0058
Brugia malayi Csnk2b protein 0.0077 0.1842 0.4876
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Toxoplasma gondii PAN domain-containing protein 0.0335 1 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0094 0.0175
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0021 0.0094 0.0262
Toxoplasma gondii PAN/Apple domain-containing protein 0.0036 0.0553 0.0509
Onchocerca volvulus 0.0036 0.0553 0.282
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0189 0.5392 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.1047 0.1943
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1725 0.3079
Leishmania major hypothetical protein, conserved 0.0056 0.1175 0.6355
Loa Loa (eye worm) hypothetical protein 0.0073 0.1725 0.4565
Onchocerca volvulus 0.0021 0.0094 0.0262
Onchocerca volvulus 0.0021 0.0094 0.0262
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0073 0.1725 0.3079
Toxoplasma gondii microneme protein MIC17A 0.0036 0.0553 0.0509
Toxoplasma gondii PAN domain-containing protein 0.0036 0.0553 0.0509
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0073 0.1725 0.3079
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0021 0.0094 0.0175
Onchocerca volvulus 0.0036 0.0553 0.282
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0021 0.0094 0.0175
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0077 0.1842 1
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0077 0.1842 1
Schistosoma mansoni casein kinase II beta subunit 0.0077 0.1842 1
Trichomonas vaginalis hypothetical protein 0.0189 0.5392 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1725 0.3079
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0021 0.0094 0.0175
Brugia malayi AMP-binding enzyme family protein 0.0073 0.1725 0.4565
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0189 0.5392 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Brugia malayi casein kinase II, putaitve 0.0022 0.0125 0.0302
Loa Loa (eye worm) hypothetical protein 0.0021 0.0094 0.0221
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.0095
Toxoplasma gondii microneme protein MIC17B 0.0036 0.0553 0.0509
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0077 0.1842 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1142 0.301
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0021 0.0094 0.0047
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0553 0.1443
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0021 0.0094 0.0175
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0073 0.1725 0.32
Plasmodium falciparum casein kinase II beta chain 0.0077 0.1842 0.3403
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.1047 0.1943
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.002 0.0047 0.0095
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0073 0.1725 0.32
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0021 0.0094 0.0047
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0073 0.1725 0.3079
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0094 0.0221
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0094 0.0221
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0022 0.0125 0.0175
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0094 0.0262
Toxoplasma gondii microneme protein, putative 0.0036 0.0553 0.0509
Brugia malayi Protein kinase domain containing protein 0.0056 0.1175 0.3098
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Leishmania major phospholipase c-like protein 0.002 0.0047 0.0196
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0553 0.1443
Loa Loa (eye worm) hypothetical protein 0.0073 0.1725 0.4565
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0189 0.5392 0.537
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0021 0.0094 0.0175
Onchocerca volvulus 0.0021 0.0094 0.0262
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0094 0.0175
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Loa Loa (eye worm) hypothetical protein 0.0036 0.0553 0.1443
Loa Loa (eye worm) hypothetical protein 0.0036 0.0553 0.1443
Plasmodium vivax casein kinase II beta chain, putative 0.0077 0.1842 0.3403
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Onchocerca volvulus 0.0036 0.0553 0.282
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.1725 0.3079
Toxoplasma gondii hypothetical protein 0.0036 0.0553 0.0509
Brugia malayi AMP-binding enzyme family protein 0.0021 0.0094 0.0221
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0094 0.0452
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.1142 0.1977
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.1725 0.9332
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Loa Loa (eye worm) Csnk2b protein 0.0077 0.1842 0.4876
Loa Loa (eye worm) hypothetical protein 0.002 0.0047 0.0095
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.1142 0.2117
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0094 0.0262
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1725 0.9362
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0077 0.1842 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0021 0.0094 0.0262
Toxoplasma gondii microneme protein MIC4 0.0036 0.0553 0.0509
Loa Loa (eye worm) casein kinase II 0.0022 0.0125 0.0302
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0189 0.5392 0.5
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0022 0.0125 0.0175
Mycobacterium ulcerans acyl-CoA synthetase 0.0073 0.1725 0.3079
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0077 0.1842 0.1804
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0553 0.1443
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.002 0.0047 0.0095
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0094 0.0452
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Loa Loa (eye worm) oxidoreductase 0.0021 0.0094 0.0221
Toxoplasma gondii ck2 beta subunit 0.0077 0.1842 0.1804
Onchocerca volvulus 0.0036 0.0553 0.282
Toxoplasma gondii PAN domain-containing protein 0.0036 0.0553 0.0509
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Loa Loa (eye worm) TK/ROR protein kinase 0.0056 0.1175 0.3098
Plasmodium falciparum cysteine repeat modular protein 1 0.0056 0.1175 0.2162
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.1047 0.1943
Entamoeba histolytica acyl-coA synthetase, putative 0.0073 0.1725 0.9332
Leishmania major 4-coumarate:coa ligase-like protein 0.0073 0.1725 0.9362
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0036 0.0553 0.0509
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0056 0.1175 0.2162
Entamoeba histolytica acyl-CoA synthetase, putative 0.0073 0.1725 0.9332
Loa Loa (eye worm) hypothetical protein 0.0036 0.0553 0.1443
Onchocerca volvulus 0.0036 0.0553 0.282
Leishmania major acetyl-CoA synthetase, putative 0.0021 0.0094 0.0452
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0021 0.0094 0.0221
Echinococcus multilocularis tissue type plasminogen activator 0.0056 0.1175 0.6282
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Mycobacterium ulcerans hypothetical protein 0.0073 0.1725 0.3079
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0077 0.1842 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0021 0.0094 0.0175
Toxoplasma gondii PAN domain-containing protein 0.0036 0.0553 0.0509
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0553 0.1443
Loa Loa (eye worm) hypothetical protein 0.0036 0.0553 0.1443
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0021 0.0094 0.0154
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0077 0.1842 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Schistosoma mansoni hypothetical protein 0.0056 0.1175 0.6355
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0189 0.5392 1
Brugia malayi Variant SH3 domain containing protein 0.0138 0.3766 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1142 0.301
Onchocerca volvulus 0.0036 0.0553 0.282
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Onchocerca volvulus 0.0036 0.0553 0.282
Loa Loa (eye worm) PAN domain-containing protein 0.0036 0.0553 0.1443
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.1142 0.2101
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Loa Loa (eye worm) hypothetical protein 0.0055 0.1142 0.301
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0189 0.5392 1
Giardia lamblia Casein kinase II beta chain 0.0077 0.1842 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1142 0.301
Loa Loa (eye worm) hypothetical protein 0.0056 0.1175 0.3098
Schistosoma mansoni acetyl-CoA synthetase 0.0021 0.0094 0.0452
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0021 0.0094 0.0175
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0021 0.0094 0.0221
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0021 0.0094 0.0262
Trichomonas vaginalis casein kinase II beta chain, putative 0.0022 0.0125 0.0058
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0094 0.0175
Plasmodium vivax acetyl-CoA synthetase, putative 0.0021 0.0094 0.0154
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0021 0.0094 0.0175
Trichomonas vaginalis casein kinase II beta chain, putative 0.0077 0.1842 0.33
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.1175 0.6282
Toxoplasma gondii PAN domain-containing protein 0.0036 0.0553 0.0509
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443
Brugia malayi Kringle domain containing protein 0.0056 0.1175 0.3098
Brugia malayi PAN domain containing protein 0.0036 0.0553 0.1443

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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