Detailed information for compound 845313

Basic information

Technical information
  • TDR Targets ID: 845313
  • Name: methyl 5-acetyl-2-[(5-chloro-2-methylsulfanyl pyrimidine-4-carbonyl)amino]-4-methylthiophen e-3-carboxylate
  • MW: 399.872 | Formula: C15H14ClN3O4S2
  • H donors: 1 H acceptors: 5 LogP: 3.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(NC(=O)c2nc(SC)ncc2Cl)sc(c1C)C(=O)C
  • InChi: 1S/C15H14ClN3O4S2/c1-6-9(14(22)23-3)13(25-11(6)7(2)20)19-12(21)10-8(16)5-17-15(18-10)24-4/h5H,1-4H3,(H,19,21)
  • InChiKey: SHEZHVZTHREXHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 5-acetyl-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylate
  • 5-acetyl-2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester
  • 5-acetyl-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester
  • methyl 2-[(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

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
Echinococcus granulosus sodium channel protein 0.0108 0.3306 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0037 0.062 1
Trichomonas vaginalis glutaminase, putative 0.0287 1 1
Mycobacterium ulcerans glutaminase 0.0287 1 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0037 0.062 0.062
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0037 0.062 1
Brugia malayi cytochrome P450 0.0037 0.062 0.062
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0108 0.3306 1
Giardia lamblia Hypothetical protein 0.0096 0.2847 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0096 0.2847 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1112 0.1112
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0046 0.0965 0.0965
Loa Loa (eye worm) glutaminase 2 0.0287 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0037 0.062 1
Loa Loa (eye worm) CYP4Cod1 0.0046 0.0965 0.0965
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0037 0.062 1
Brugia malayi Cytochrome P450 family protein 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0037 0.062 0.062
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0965 0.0965
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0037 0.062 0.062
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1112 0.1112
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0037 0.062 1
Loa Loa (eye worm) glutaminase 0.0287 1 1
Leishmania major cytochrome p450-like protein 0.0037 0.062 0.1876
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1281 0.1281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1112 0.3365
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0965 0.3391
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0037 0.062 0.2178
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.062 0.2178
Loa Loa (eye worm) hypothetical protein 0.0037 0.0635 0.0635
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0037 0.062 0.2178
Loa Loa (eye worm) hypothetical protein 0.0096 0.2847 0.2847
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0965 0.3391
Echinococcus multilocularis 0.0037 0.062 0.1876
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0037 0.062 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1112 0.3365
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0096 0.2847 0.2847
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0037 0.062 1
Brugia malayi CAAX amino terminal protease family protein 0.0096 0.2847 0.2847
Brugia malayi Cytochrome P450 family protein 0.0037 0.062 0.062
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.062 0.062
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0037 0.062 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0096 0.2847 0.2847
Toxoplasma gondii cytochrome p450 superfamily protein 0.0037 0.062 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0037 0.062 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1281 0.1281
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0108 0.3306 1
Echinococcus granulosus cytochrome P450 2K1 0.0037 0.062 0.1876
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0037 0.062 0.062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1112 0.3365
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0037 0.062 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0037 0.062 1
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0037 0.062 0.062
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0037 0.062 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0037 0.062 0.062
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0037 0.062 1
Echinococcus multilocularis sodium channel protein 0.0108 0.3306 1
Entamoeba histolytica CAAX prenyl protease family 0.0096 0.2847 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0037 0.062 0.062
Mycobacterium leprae putative cytochrome p450 0.0037 0.062 0.5
Brugia malayi Cytochrome P450 family protein 0.0046 0.0965 0.0965
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0037 0.062 0.062
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0096 0.2847 0.8613
Loa Loa (eye worm) hypothetical protein 0.0054 0.1281 0.1281
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0037 0.062 0.2178
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0037 0.062 0.062
Echinococcus granulosus CAAX prenyl protease 2 0.0096 0.2847 0.8613
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0037 0.062 0.062
Schistosoma mansoni glutaminase 0.0287 1 1
Brugia malayi Cytochrome P450 family protein 0.0046 0.0965 0.0965
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0965 0.0965
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0037 0.062 0.062
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0037 0.062 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0037 0.062 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0037 0.062 1
Echinococcus multilocularis CAAX prenyl protease 2 0.0096 0.2847 0.8613
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1112 0.1112
Leishmania major cytochrome p450-like protein 0.0046 0.0965 0.292
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0096 0.2847 0.2847
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1112 0.3365
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0037 0.062 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0037 0.062 0.1876
Trypanosoma brucei cytochrome P450, putative 0.0046 0.0965 0.3391
Schistosoma mansoni hypothetical protein 0.0037 0.062 0.062
Leishmania major cytochrome p450-like protein 0.0037 0.062 0.1876
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0037 0.062 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0037 0.062 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1112 0.1112
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0037 0.062 0.062
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0096 0.2847 1
Schistosoma mansoni cytochrome P450 0.0037 0.062 0.062
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1281 0.1281
Schistosoma mansoni hypothetical protein 0.0037 0.0635 0.0635
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0635 0.0635
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0037 0.062 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0037 0.062 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0096 0.2847 1
Loa Loa (eye worm) cytochrome P450 0.0037 0.062 0.062
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0037 0.062 0.062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1112 0.1112

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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