Detailed information for compound 333727

Basic information

Technical information
  • TDR Targets ID: 333727
  • Name: 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2- ylamino)pyrido[2,3-d]pyrimidin-7-one
  • MW: 363.413 | Formula: C20H21N5O2
  • H donors: 1 H acceptors: 5 LogP: 2.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccccn1
  • InChi: 1S/C20H21N5O2/c1-12-15-11-22-20(23-16-9-5-6-10-21-16)24-18(15)25(14-7-3-4-8-14)19(27)17(12)13(2)26/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23,24)
  • InChiKey: WNTYNFHZYYRFOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-acetyl-8-cyclopentyl-5-methyl-2-(2-pyridylamino)pyrido[2,3-d]pyrimidin-7-one
  • 6-acetyl-8-cyclopentyl-5-methyl-2-(2-pyridylamino)-7-pyrido[2,3-d]pyrimidinone
  • 8-cyclopentyl-6-ethanoyl-5-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
  • 6-acetyl-8-cyclopentyl-5-methyl-2-(pyridin-2-ylamino)pyrido[6,5-d]pyrimidin-7-one
  • 6-acetyl-8-cyclopentyl-5-methyl-2-(2-pyridylamino)pyrido[6,5-d]pyrimidin-7-one
  • 6-acetyl-8-cyclopentyl-5-methyl-2-(2-pyridylamino)-7-pyrido[6,5-d]pyrimidinone
  • 8-cyclopentyl-6-ethanoyl-5-methyl-2-(pyridin-2-ylamino)pyrido[6,5-d]pyrimidin-7-one
  • Pyrido-[2,3-d]-pyrimidin-7-one 42

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin D2 Starlite/ChEMBL References
Homo sapiens cyclin A1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus G1:S specific cyclin D1 Get druggable targets OG5_131242 All targets in OG5_131242
Trichomonas vaginalis cyclins, putative 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
Leishmania infantum 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
Trichomonas vaginalis cyclin B, 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 A, putative 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
Schistosoma japonicum ko:K10151 cyclin D2, putative Get druggable targets OG5_131242 All targets in OG5_131242
Cryptosporidium parvum cyclin 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 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
Leishmania major CYC2-like cyclin, putative,cyclin 6, 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
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 donovani CYC2-like cyclin, 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_131242 All targets in OG5_131242
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus 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
Entamoeba histolytica 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131242 All targets in OG5_131242
Loa Loa (eye worm) hypothetical protein 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
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin d Get druggable targets OG5_131242 All targets in OG5_131242
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 cyclins, 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
Trichomonas vaginalis cyclin B, 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
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis G1:S specific cyclin D1 Get druggable targets OG5_131242 All targets in OG5_131242
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131242 All targets in OG5_131242
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis 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
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
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 congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis cyclin B, putative cyclin D2 289 aa 246 aa 21.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus hypothetical protein 0.0176 0.8884 0.8865
Entamoeba histolytica cyclin, putative 0.0073 0.2136 0.2259
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0176 0.8884 1
Leishmania major cyclin 0.0073 0.2136 0.1764
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase 0.0176 0.8884 0.8865
Trypanosoma cruzi cyclin, putative 0.0073 0.2136 0.1764
Loa Loa (eye worm) oxidoreductase 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0051 0.0692 0.0534
Echinococcus granulosus aldehyde reductase 0.0125 0.5544 0.5468
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0692 0.0778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Entamoeba histolytica alcohol dehydrogenase, putative 0.0051 0.0692 0.0602
Mycobacterium ulcerans oxidoreductase 0.0176 0.8884 1
Entamoeba histolytica aldose reductase, putative 0.0176 0.8884 1
Trichomonas vaginalis cyclin D, putative 0.0043 0.0167 0.0188
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Trichomonas vaginalis cyclin A, putative 0.0073 0.2136 0.2405
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0051 0.0692 0.0534
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Trypanosoma cruzi aldo/keto reductase, putative 0.0176 0.8884 1
Trypanosoma cruzi aldo-keto reductase 0.0176 0.8884 1
Onchocerca volvulus 0.0176 0.8884 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Trypanosoma brucei aldo-keto reductase, putative 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase 0.0176 0.8884 0.8865
Echinococcus granulosus G1:S specific cyclin D1 0.0193 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.8884 0.8865
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Onchocerca volvulus 0.0176 0.8884 1
Plasmodium vivax aldehyde reductase, putative 0.0051 0.0692 0.5
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0073 0.2136 0.1764
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Entamoeba histolytica aldose reductase, putative 0.0176 0.8884 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0051 0.0692 0.0778
Entamoeba histolytica aldose reductase, putative 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Schistosoma mansoni aldo-keto reductase 0.0176 0.8884 0.8865
Trichomonas vaginalis cyclin B3, putative 0.0043 0.0167 0.0188
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Echinococcus multilocularis cyclin B 0.0073 0.2136 0.2003
Trypanosoma cruzi cyclin, putative 0.0073 0.2136 0.1764
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Echinococcus multilocularis aldehyde reductase 0.0125 0.5544 0.5468
Brugia malayi NADH-dependent xylose reductase 0.0051 0.0692 0.0534
Trichomonas vaginalis aldo/keto reductase, putative 0.0176 0.8884 1
Onchocerca volvulus 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Plasmodium falciparum aldo-keto reductase, putative 0.0051 0.0692 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0073 0.2136 0.2003
Loa Loa (eye worm) oxidoreductase 0.0176 0.8884 0.8865
Entamoeba histolytica alcohol dehydrogenase, putative 0.0051 0.0692 0.0602
Onchocerca volvulus 0.0176 0.8884 1
Trichomonas vaginalis cyclins, putative 0.0073 0.2136 0.2405
Plasmodium falciparum aldehyde reductase, putative 0.0051 0.0692 1
Echinococcus multilocularis aldo keto reductase 0.0176 0.8884 0.8865
Trichomonas vaginalis cyclins, putative 0.0073 0.2136 0.2405
Trichomonas vaginalis cyclin B, putative 0.0043 0.0167 0.0188
Loa Loa (eye worm) hypothetical protein 0.0073 0.2136 0.2003
Trichomonas vaginalis cyclins, putative 0.0073 0.2136 0.2405
Loa Loa (eye worm) oxidoreductase 0.0176 0.8884 0.8865
Echinococcus granulosus voltage gated potassium channel subunit 0.0051 0.0692 0.0534
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Trichomonas vaginalis cyclins, putative 0.0073 0.2136 0.2405
Loa Loa (eye worm) hypothetical protein 0.0182 0.932 0.9309
Trypanosoma cruzi CYC2-like cyclin, putative 0.0073 0.2136 0.1764
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Trichomonas vaginalis cyclin D, putative 0.0043 0.0167 0.0188
Schistosoma mansoni aldo-keto reductase 0.0176 0.8884 0.8865
Mycobacterium tuberculosis Probable oxidoreductase 0.0176 0.8884 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Schistosoma mansoni cyclin B 0.0073 0.2136 0.2003
Trichomonas vaginalis cyclin B, putative 0.0073 0.2136 0.2405
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0051 0.0692 0.0534
Giardia lamblia Aldose reductase 0.0176 0.8884 1
Toxoplasma gondii aldose reductase, putative 0.0176 0.8884 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0176 0.8884 0.8865
Giardia lamblia Aldose reductase 0.0176 0.8884 1
Leishmania major prostaglandin f synthase, putative 0.0176 0.8884 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0176 0.8884 1
Schistosoma mansoni potassium channel beta 0.0051 0.0692 0.0534
Loa Loa (eye worm) oxidoreductase 0.0176 0.8884 0.8865
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0176 0.8884 0.8865
Leishmania major aldo-keto reductase-like protein 0.0176 0.8884 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2136 0.2003
Trypanosoma cruzi cyclin 6, putative 0.0073 0.2136 0.1764
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0176 0.8884 0.8865
Loa Loa (eye worm) oxidoreductase 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Echinococcus multilocularis aldo keto reductase 0.0176 0.8884 0.8865
Trichomonas vaginalis cyclin B, putative 0.0073 0.2136 0.2405
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0176 0.8884 1
Trypanosoma brucei prostaglandin f synthase 0.0176 0.8884 1
Trypanosoma brucei mitotic cyclin 6 0.0073 0.2136 0.1764
Trichomonas vaginalis aldo/keto reductase, putative 0.0176 0.8884 1
Trichomonas vaginalis cyclins, putative 0.0043 0.0167 0.0188
Giardia lamblia G2/mitotic-specific cyclin B 0.0073 0.2136 0.2259
Echinococcus granulosus aldo keto reductase 0.0176 0.8884 0.8865
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Echinococcus granulosus cyclin B 0.0073 0.2136 0.2003
Onchocerca volvulus 0.0073 0.2136 0.1764
Schistosoma mansoni pol-related 0.0176 0.8884 0.8865
Loa Loa (eye worm) hypothetical protein 0.0193 1 1
Onchocerca volvulus 0.0176 0.8884 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0051 0.0692 0.0778
Schistosoma mansoni cyclin d 0.0193 1 1
Trichomonas vaginalis cyclin B, putative 0.0073 0.2136 0.2405
Trichomonas vaginalis aldo-keto reductase, putative 0.0051 0.0692 0.0778
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0167 0.0188
Echinococcus multilocularis G1:S specific cyclin D1 0.0193 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0073 0.2136 0.2003
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0051 0.0692 0.5
Trichomonas vaginalis cyclin B, putative 0.0073 0.2136 0.2405
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0051 0.0692 0.0534
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0176 0.8884 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0051 0.0692 0.0778
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0176 0.8884 0.8865
Onchocerca volvulus 0.0176 0.8884 1
Mycobacterium leprae Conserved hypothetical protein 0.0125 0.5544 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0176 0.8884 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.44 uM Inhibition of Cyclin-dependent kinase 4-cyclinD ChEMBL. 15801831
IC50 (binding) = 0.44 uM Inhibition of Cyclin-dependent kinase 4-cyclinD ChEMBL. 15801831
IC50 (binding) > 5 uM Inhibition of Cyclin dependent kinase 2-cyclin A ChEMBL. 15801831
IC50 (binding) > 5 uM Inhibition of Cyclin dependent kinase 2-cyclin A ChEMBL. 15801831

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.