Detailed information for compound 1760227

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.356 | Formula: C10H11N5O3S2
  • H donors: 4 H acceptors: 4 LogP: 0.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1sc(nc1N)Nc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C10H11N5O3S2/c11-8-7(9(12)16)19-10(15-8)14-5-1-3-6(4-2-5)20(13,17)18/h1-4H,11H2,(H2,12,16)(H,14,15)(H2,13,17,18)
  • InChiKey: NYEMVPGQXLAKEH-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin A2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649

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
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.266 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.1039 0.3808 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0374 0.0374
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.266 1 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.266 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1039 0.3808 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.266 1 0.5
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.266 1 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.266 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1039 0.3808 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1039 0.3808 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.266 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.266 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1039 0.3808 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0035 0.0035
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.266 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1039 0.3808 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.266 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.0967 0.0967
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1039 0.3808 0.3808
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.1039 0.3808 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.266 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1039 0.3808 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.0967 0.0615
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1039 0.3808 0.5
Leishmania major dihydroorotate dehydrogenase 0.266 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1039 0.3808 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0374 0.0374
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.0967 0.0967
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.266 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.0967 0.0967
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.266 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1039 0.3808 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.8 uM Inhibition of human CDK2/Cyclin A2 using PKTPKKAKKL as substrate by PK/LDH spectrophotometric analysis ChEMBL. 23600925

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

1 literature reference was collected for this gene.

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