Detailed information for compound 203404

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.813 | Formula: C14H15ClN4O2S
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1csc(n1)c1ccccc1Cl)NN1CCOCC1
  • InChi: 1S/C14H15ClN4O2S/c15-11-4-2-1-3-10(11)13-16-12(9-22-13)17-14(20)18-19-5-7-21-8-6-19/h1-4,9H,5-8H2,(H2,17,18,20)
  • InChiKey: HCXOFTPBOJGNAY-UHFFFAOYSA-N  


Substructure search Similarity search

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 A1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Loa Loa (eye worm) hypothetical protein 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
Giardia lamblia G2/mitotic-specific cyclin B 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
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
Leishmania donovani cyclin 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
Schistosoma japonicum ko:K05868 cyclin B, 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
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
Trichomonas vaginalis cyclins, putative 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
Leishmania mexicana cyclin 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
Onchocerca volvulus 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
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin 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
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
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
Loa Loa (eye worm) hypothetical protein 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 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
Trichomonas vaginalis cyclin B, putative 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
Trichomonas vaginalis cyclin A, 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
Trypanosoma cruzi cyclin, putative 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
Echinococcus multilocularis cyclin B 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
Trypanosoma cruzi cyclin, putative 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
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.1684 0.9848 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0232 0.1224 0.5
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.1684 0.9848 0.9848
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.1224 0.1243
Trichomonas vaginalis fk506-binding protein, putative 0.0232 0.1224 0.1243
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0232 0.1224 0.1243
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1224
Trichomonas vaginalis cyclin B, putative 0.0051 0.0153 0.0155
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.1478 0.8624 0.8624
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0232 0.1224 0.1243
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1684 0.9848 1
Echinococcus multilocularis stress induced phosphoprotein 1 0.003 0.0024 0.0024
Onchocerca volvulus 0.0236 0.1248 1
Trichomonas vaginalis cyclin B, putative 0.0051 0.0153 0.0155
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.1478 0.8624 0.8624
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0232 0.1224 0.124
Leishmania major hypothetical protein, conserved 0.003 0.0024 0.0024
Echinococcus multilocularis fk506 binding protein 0.1684 0.9848 0.9848
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0232 0.1224 0.5
Onchocerca volvulus 0.0232 0.1224 0.9805
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0232 0.1224 0.5
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Brugia malayi Cyclin, N-terminal domain containing protein 0.0051 0.0153 0.0155
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1684 0.9848 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.1684 0.9848 0.9848
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.171 1 1
Schistosoma mansoni hypothetical protein 0.0232 0.1224 0.1224
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0232 0.1224 0.5
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0232 0.1224 0.124
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.1684 0.9848 1
Schistosoma mansoni immunophilin 0.1478 0.8624 0.8624
Trichomonas vaginalis cyclins, putative 0.0051 0.0153 0.0155
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0232 0.1224 0.5
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0257 0.1376 0.1376
Schistosoma mansoni fk506 binding protein 0.0232 0.1224 0.1224
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.1224 0.1243
Leishmania major stress-inducible protein STI1 homolog 0.003 0.0024 0.0024
Trypanosoma cruzi cyclin 6, putative 0.0051 0.0153 0.0155
Loa Loa (eye worm) hypothetical protein 0.003 0.0026 0.0026
Trypanosoma brucei TPR-repeat-containing chaperone protein DNAJ, putative 0.003 0.0024 0.0024
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0232 0.1224 0.1243
Trichomonas vaginalis fk506 binding protein, putative 0.0232 0.1224 0.1243
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Trichomonas vaginalis cyclins, putative 0.0051 0.0153 0.0155
Trypanosoma cruzi cyclin, putative 0.0051 0.0153 0.0155
Trichomonas vaginalis fk506-binding protein, putative 0.0232 0.1224 0.1243
Trichomonas vaginalis immunophilin, putative 0.1684 0.9848 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.1684 0.9848 1
Trypanosoma brucei mitotic cyclin 6 0.0051 0.0153 0.0155
Schistosoma mansoni DNAj homolog subfamily C member 0.003 0.0024 0.0024
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0232 0.1224 0.5
Leishmania major fk506-binding protein 1-like protein 0.1684 0.9848 1
Trichomonas vaginalis cyclin B, putative 0.0051 0.0153 0.0155
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0232 0.1224 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0232 0.1224 0.1243
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0232 0.1224 0.1243
Schistosoma mansoni immunophilin 0.171 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0051 0.0153 0.0155
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.1684 0.9848 1
Trichomonas vaginalis cyclins, putative 0.0051 0.0153 0.0155
Trypanosoma brucei hypothetical protein, conserved 0.0232 0.1224 0.1243
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0232 0.1224 0.1243
Echinococcus granulosus FK506 binding protein 2 0.0232 0.1224 0.1224
Loa Loa (eye worm) hypothetical protein 0.0051 0.0153 0.0155
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Trichomonas vaginalis cyclins, putative 0.0035 0.0056 0.0057
Onchocerca volvulus 0.0051 0.0153 0.1055
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.1684 0.9848 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.1684 0.9848 0.9976
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0232 0.1224 0.1224
Echinococcus multilocularis 0.0232 0.1224 0.1224
Trichomonas vaginalis cyclins, putative 0.0051 0.0153 0.0155
Echinococcus granulosus stress induced phosphoprotein 1 0.003 0.0024 0.0024
Echinococcus multilocularis cyclin B 0.0051 0.0153 0.0153
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0232 0.1224 0.1243
Trichomonas vaginalis O-linked N-acetylglucosamine transferase, ogt, putative 0.003 0.0024 0.0024
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.171 1 1
Leishmania major cyclin 0.0051 0.0153 0.0155
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.171 1 1
Schistosoma mansoni DNAj homolog subfamily C member 0.003 0.0024 0.0024
Trichomonas vaginalis cyclin A, putative 0.0051 0.0153 0.0155
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.1688 0.9872 1
Trypanosoma cruzi cyclin, putative 0.0051 0.0153 0.0155
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Giardia lamblia G2/mitotic-specific cyclin B 0.0051 0.0153 0.0155
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.1684 0.9848 1
Schistosoma mansoni cyclin B 0.0051 0.0153 0.0153
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1684 0.9848 1
Trichomonas vaginalis cyclin B, putative 0.0051 0.0153 0.0155
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0232 0.1224 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.1684 0.9848 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.1224 0.1243
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1684 0.9848 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0153 0.0155
Leishmania major peptidylprolyl isomerase-like protein 0.1684 0.9848 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.1684 0.9848 1
Entamoeba histolytica cyclin, putative 0.0051 0.0153 0.0153
Echinococcus granulosus cyclin B 0.0051 0.0153 0.0153
Schistosoma mansoni immunophilin 0.171 1 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0232 0.1224 0.1243
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0232 0.1224 0.1243
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.1684 0.9848 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0024 0.0024
Loa Loa (eye worm) FKBP5 protein 0.1684 0.9848 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.1684 0.9848 1
Loa Loa (eye worm) hypothetical protein 0.1456 0.8496 0.8627
Brugia malayi Cyclin, N-terminal domain containing protein 0.0051 0.0153 0.0155
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.1684 0.9848 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0232 0.1224 0.1224
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0232 0.1224 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0232 0.1224 0.124
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0232 0.1224 0.1243
Trypanosoma cruzi CYC2-like cyclin, putative 0.0051 0.0153 0.0155
Giardia lamblia Hypothetical protein 0.0232 0.1224 0.1243
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.1684 0.9848 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 uM Ability to inhibit cyclin-dependent kinase 2-cyclin A. ChEMBL. 14505655
IC50 (binding) = 10 uM Ability to inhibit cyclin-dependent kinase 2-cyclin A. ChEMBL. 14505655
IC50 (binding) = 30 uM Ability to inhibit Cyclin-dependent kinase 5-p35. ChEMBL. 14505655
IC50 (binding) = 30 uM Ability to inhibit Cyclin-dependent kinase 5-p35. ChEMBL. 14505655

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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