Detailed information for compound 1514747

Basic information

Technical information
  • TDR Targets ID: 1514747
  • Name: 5-piperidin-3-yl-3-prop-1-ynylpyrazolo[5,1-b] pyrimidin-7-amine
  • MW: 255.318 | Formula: C14H17N5
  • H donors: 2 H acceptors: 2 LogP: 0.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC#Cc1cnn2c1nc(cc2N)C1CCCNC1
  • InChi: 1S/C14H17N5/c1-2-4-11-9-17-19-13(15)7-12(18-14(11)19)10-5-3-6-16-8-10/h7,9-10,16H,3,5-6,8,15H2,1H3
  • InChiKey: INYWDKXOTYZOJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3-piperidyl)-3-prop-1-ynyl-pyrazolo[5,1-b]pyrimidin-7-amine
  • 5-(3-piperidinyl)-3-prop-1-ynyl-7-pyrazolo[5,1-b]pyrimidinamine
  • [5-(3-piperidyl)-3-prop-1-ynyl-pyrazolo[5,1-b]pyrimidin-7-yl]amine
  • 5-piperidin-3-yl-3-prop-1-ynyl-pyrazolo[5,1-b]pyrimidin-7-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin A2 References
Homo sapiens cyclin A1 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens checkpoint kinase 1 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 mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, 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
Leishmania mexicana 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
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
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
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130454 All targets in OG5_130454
Onchocerca volvulus 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
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_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
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 cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum Serine/threonine-protein kinase Chk1, putative Get druggable targets OG5_130454 All targets in OG5_130454
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia G2/mitotic-specific cyclin B 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
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
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 cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
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
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 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
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
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, 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
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi LBP/BPI 0.0091 0.1248 0.3038
Trichomonas vaginalis cyclin B, putative 0.009 0.1234 0.9871
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0486 0.2851
Brugia malayi hypothetical protein 0.0091 0.1248 0.3038
Entamoeba histolytica cyclin, putative 0.009 0.1234 1
Onchocerca volvulus 0.0212 0.3691 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0482 0.0855
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0486 0.0918
Echinococcus multilocularis cyclin B 0.009 0.1234 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1872 0.4818
Loa Loa (eye worm) hypothetical protein 0.0091 0.1248 0.3038
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0486 0.2888
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0212 0.3691 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0486 0.2851
Loa Loa (eye worm) hypothetical protein 0.0091 0.1248 0.3038
Brugia malayi cell division control protein 2 homolog 0.0053 0.0486 0.0866
Trichomonas vaginalis cyclins, putative 0.009 0.1234 0.9871
Brugia malayi Protein kinase domain containing protein 0.0053 0.0486 0.0866
Trichomonas vaginalis cyclins, putative 0.009 0.1234 0.9871
Loa Loa (eye worm) hypothetical protein 0.0212 0.3691 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0212 0.3691 1
Onchocerca volvulus 0.0212 0.3691 1
Giardia lamblia G2/mitotic-specific cyclin B 0.009 0.1234 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0122 0.1872 0.4818
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0203 0.3494 0.9439
Onchocerca volvulus 0.0212 0.3691 1
Schistosoma mansoni serine/threonine protein kinase 0.0203 0.3494 1
Leishmania major cyclin 0.009 0.1234 1
Trypanosoma brucei mitotic cyclin 6 0.009 0.1234 1
Onchocerca volvulus 0.0212 0.3691 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1872 0.4818
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 0.1234 1
Brugia malayi hypothetical protein 0.0122 0.1872 0.4818
Trypanosoma cruzi cyclin, putative 0.009 0.1234 1
Echinococcus multilocularis cyclin dependent kinase 0.0053 0.0486 0.2888
Loa Loa (eye worm) hypothetical protein 0.009 0.1234 0.2999
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0486 0.2888
Loa Loa (eye worm) hypothetical protein 0.0091 0.1248 0.3038
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0053 0.0486 1
Trypanosoma cruzi cyclin, putative 0.009 0.1234 1
Schistosoma mansoni cyclin B 0.009 0.1234 0.3178
Loa Loa (eye worm) hypothetical protein 0.0122 0.1872 0.4818
Loa Loa (eye worm) hypothetical protein 0.0052 0.0463 0.0803
Echinococcus granulosus cyclin dependent kinase 5 0.0053 0.0486 0.2888
Plasmodium falciparum protein kinase 5 0.0053 0.0486 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0122 0.1872 0.4818
Onchocerca volvulus 0.0212 0.3691 1
Brugia malayi hypothetical protein 0.0122 0.1872 0.4818
Onchocerca volvulus 0.0122 0.1872 0.2598
Trypanosoma cruzi cyclin 6, putative 0.009 0.1234 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0486 0.2888
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 0.1234 1
Onchocerca volvulus 0.0122 0.1872 0.2598
Onchocerca volvulus 0.0212 0.3691 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0053 0.0486 0.0866
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0122 0.1872 0.4818
Plasmodium vivax protein kinase Crk2 0.0053 0.0486 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.1234 0.2999
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0122 0.1872 0.4818
Loa Loa (eye worm) hypothetical protein 0.0122 0.1872 0.4818
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0486 0.0866
Trichomonas vaginalis cyclin B, putative 0.009 0.1234 0.9871
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0486 0.2851
Echinococcus granulosus cyclin B 0.009 0.1234 1
Onchocerca volvulus 0.0091 0.1248 0.0056
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0212 0.3691 1
Trichomonas vaginalis cyclin A, putative 0.009 0.1234 0.9871
Onchocerca volvulus 0.0212 0.3691 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0053 0.0486 0.2888
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.1234 0.2999
Trichomonas vaginalis cyclins, putative 0.009 0.1234 0.9871
Trichomonas vaginalis cyclins, putative 0.0062 0.0663 0.4518
Trichomonas vaginalis cyclins, putative 0.009 0.1234 0.9871
Echinococcus multilocularis cyclin dependent kinase 5 0.0053 0.0486 0.2888
Onchocerca volvulus 0.0212 0.3691 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0122 0.1872 0.4818
Brugia malayi Protein kinase domain containing protein 0.0203 0.3494 0.9439
Echinococcus multilocularis cyclin dependent kinase 1 0.0053 0.0486 0.2888
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.1248 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0486 0.0918
Trichomonas vaginalis cyclin B, putative 0.009 0.1234 0.9871
Loa Loa (eye worm) hypothetical protein 0.0091 0.1248 0.3038
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0212 0.3691 1
Giardia lamblia Kinase, CMGC CDK 0.0053 0.0486 0.2888
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0053 0.0486 0.2888
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0053 0.0486 0.0866
Loa Loa (eye worm) hypothetical protein 0.0122 0.1872 0.4818
Trichomonas vaginalis cyclin B, putative 0.009 0.1234 0.9871
Echinococcus granulosus cyclin dependent kinase 1 0.0053 0.0486 0.2888
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 0.1234 0.2999
Echinococcus granulosus cyclin dependent kinase 0.0053 0.0486 0.2888

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.08 uM Inhibition of CDK2/cyclin A ChEMBL. 21094608
IC50 (binding) = 18 uM Inhibition of recombinant His-CHK1 expressed in baculovirus after 2 hrs by scintillation proximity assay ChEMBL. 21094608

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.

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