Detailed information for compound 332296

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.216 | Formula: C13H10Cl2N4OS
  • H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nn(c2c1c(=O)[nH]c(n2)C)c1ccc(cc1Cl)Cl
  • InChi: 1S/C13H10Cl2N4OS/c1-6-16-11-10(12(20)17-6)13(21-2)18-19(11)9-4-3-7(14)5-8(9)15/h3-5H,1-2H3,(H,16,17,20)
  • InChiKey: HKKWGFWVXGOFPG-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 cyclins 0.0129 0.1382 0.1351
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0246 0.3497 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0263 0.3793 0.3799
Trichomonas vaginalis cyclin B, putative 0.0129 0.1382 0.5559
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0246 0.3497 0.3474
Schistosoma mansoni cyclins 0.0129 0.1382 0.1351
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0246 0.3497 0.3479
Trichomonas vaginalis cyclin B, putative 0.0189 0.2458 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0246 0.3497 0.3474
Trichomonas vaginalis cyclin A, putative 0.0189 0.2458 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0036 0.0036
Brugia malayi protein C17H12.11 0.0233 0.3262 0.3243
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0263 0.3793 0.3771
Loa Loa (eye worm) hypothetical protein 0.0233 0.3262 0.3267
Trichomonas vaginalis cyclins, putative 0.0189 0.2458 1
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Trichomonas vaginalis cyclins, putative 0.0129 0.1382 0.5559
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Trypanosoma brucei mitotic cyclin 6 0.0189 0.2458 0.6999
Brugia malayi Cyclin, N-terminal domain containing protein 0.0189 0.2458 0.2435
Loa Loa (eye worm) GMP reductase 0.0102 0.0913 0.0914
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0036 0.0036
Echinococcus granulosus cyclin b3 0.0129 0.1382 0.1351
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Entamoeba histolytica cyclin family protein 0.0129 0.1382 0.5559
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0232 0.3234 0.8869
Brugia malayi Cyclin, N-terminal domain containing protein 0.0263 0.3793 0.3776
Leishmania major guanosine monophosphate reductase 0.0246 0.3497 1
Trypanosoma cruzi cyclin, putative 0.0189 0.2458 0.6999
Giardia lamblia Hypothetical protein 0.0129 0.1382 0.5559
Trichomonas vaginalis cyclin D, putative 0.0129 0.1382 0.5559
Schistosoma mansoni protein kinase 0.0275 0.4005 0.3984
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0246 0.3497 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0232 0.3234 1
Trichomonas vaginalis cyclin B, putative 0.0189 0.2458 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0246 0.3497 0.3474
Trichomonas vaginalis cyclins, putative 0.0189 0.2458 1
Echinococcus granulosus cyclins 0.0129 0.1382 0.1351
Echinococcus granulosus cyclins 0.0129 0.1382 0.1351
Brugia malayi hypothetical protein 0.0233 0.3262 0.3243
Giardia lamblia Cyclin A 0.0129 0.1382 0.5559
Echinococcus granulosus cyclin B 0.0189 0.2458 0.2431
Trichomonas vaginalis cyclins, putative 0.0189 0.2458 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0189 0.2458 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0102 0.0913 0.0881
Leishmania major cyclin 0.0189 0.2458 0.6999
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0246 0.3497 1
Trichomonas vaginalis cyclin B, putative 0.0189 0.2458 1
Schistosoma mansoni cyclin B3 0.0263 0.3793 0.3771
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.1382 0.5559
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0246 0.3497 0.5
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0235 0.3298 0.3303
Echinococcus granulosus activin receptor type 0.0277 0.4041 0.402
Trichomonas vaginalis cyclins, putative 0.0091 0.0708 0.2774
Trypanosoma cruzi GMP reductase 0.0246 0.3497 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0189 0.2458 0.6999
Entamoeba histolytica cyclin, putative 0.0189 0.2458 1
Trypanosoma cruzi cyclin 6, putative 0.0189 0.2458 0.6999
Trichomonas vaginalis cyclin D, putative 0.0129 0.1382 0.5559
Echinococcus multilocularis TGF beta receptor type 1 0.0609 1 1
Echinococcus multilocularis cyclin B3 1 0.0129 0.1382 0.1351
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0246 0.3497 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0316 0.4747 0.4754
Echinococcus granulosus TGF-beta receptor type-1 0.0609 1 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0263 0.3793 0.3771
Brugia malayi Cyclin, N-terminal domain containing protein 0.0189 0.2458 0.2435
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0246 0.3497 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0246 0.3497 1
Brugia malayi Protein kinase domain containing protein 0.0235 0.3298 0.3279
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0246 0.3497 1
Echinococcus granulosus cyclin B3 1 0.0129 0.1382 0.1351
Loa Loa (eye worm) hypothetical protein 0.0189 0.2458 0.2462
Schistosoma mansoni cyclin B 0.0189 0.2458 0.2431
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0276 0.402 0.3999
Toxoplasma gondii hypothetical protein 0.0098 0.0826 0.2282
Toxoplasma gondii IMP dehydrogenas 0.0246 0.3497 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0102 0.0913 0.0881
Brugia malayi bone morphogenetic protein type 1 receptor 0.0608 0.9985 1
Echinococcus multilocularis activin receptor type 0.0277 0.4041 0.402
Schistosoma mansoni protein kinase 0.0609 1 1
Echinococcus granulosus cyclins 0.0129 0.1382 0.1351
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0608 0.9985 1
Entamoeba histolytica cyclin, putative 0.0129 0.1382 0.5559
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0129 0.1397 0.0954
Trichomonas vaginalis cyclins, putative 0.0189 0.2458 1
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0246 0.3497 1
Onchocerca volvulus 0.0189 0.2458 1
Plasmodium falciparum cyclin 0.0129 0.1382 0.421
Trichomonas vaginalis cyclin B3, putative 0.0129 0.1382 0.5559
Trypanosoma cruzi cyclin, putative 0.0189 0.2458 0.6999
Loa Loa (eye worm) hypothetical protein 0.006 0.0151 0.0151
Trichomonas vaginalis cyclin B, putative 0.0189 0.2458 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0246 0.3497 0.3502
Trypanosoma cruzi CYC2-like cyclin, putative 0.0189 0.2458 0.6999
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0232 0.3234 1
Trypanosoma cruzi GMP reductase 0.0246 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.2458 0.2462
Brugia malayi Cyclin, N-terminal domain containing protein 0.0316 0.4747 0.4735
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0235 0.3298 0.3303
Echinococcus multilocularis cyclins 0.0129 0.1382 0.1351
Brugia malayi GMP reductase 0.0102 0.0913 0.0881
Echinococcus multilocularis cyclin b3 0.0129 0.1382 0.1351
Trypanosoma brucei GMP reductase 0.0246 0.3497 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0036 0.0036
Echinococcus multilocularis cyclin B 0.0189 0.2458 0.2431
Echinococcus granulosus cyclins 0.0129 0.1382 0.1351
Entamoeba histolytica cyclin family protein 0.0129 0.1382 0.5559

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345
IC50 (binding) = 37 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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