Detailed information for compound 167191

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 267.329 | Formula: C15H17N5
  • H donors: 2 H acceptors: 3 LogP: 2.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1n[nH]c2c1ncnc2NCc1ccccc1)C
  • InChi: 1S/C15H17N5/c1-10(2)12-13-14(20-19-12)15(18-9-17-13)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
  • InChiKey: JWXOBSUVACUIKN-UHFFFAOYSA-N  


Substructure search Similarity search

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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 B1 References
Homo sapiens cyclin B2 Starlite/ChEMBL References
Homo sapiens cyclin B3 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum IPR002155,Thiolase,domain-containing Get druggable targets OG5_134175 All targets in OG5_134175
Leishmania donovani cyclin 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
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 1 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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
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
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_134175 All targets in OG5_134175
Echinococcus multilocularis cyclin dependent 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
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi CYC2-like cyclin, 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
Echinococcus granulosus G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Loa Loa (eye worm) CMGC/CDK/CDC2 protein 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
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum 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
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
Plasmodium berghei cdc2-related kinase 2 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
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
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
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
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 mexicana CYC2-like cyclin, putative,cyclin 6, 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
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase 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
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 1 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
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
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin B 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_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cyclin 6,mitotic 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
Loa Loa (eye worm) cyclin domain-containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Echinococcus multilocularis cyclin dependent kinase 1 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
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase 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
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cell division 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
Echinococcus multilocularis G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cyclin 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 multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 5 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
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cyclin, 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 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
Schistosoma mansoni cyclin B 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
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
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, 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
Trypanosoma congolense cdc2-related kinase 1, putative 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
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Trichomonas vaginalis CMGC family protein kinase 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
Plasmodium knowlesi Cell division control protein 2 homolog 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 cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein 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
Giardia lamblia Kinase, CMGC CDK 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
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium vivax protein kinase Crk2 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
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related kinase 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
Echinococcus granulosus cyclins 0.0064 0.0363 0.0832
Plasmodium vivax protein kinase Crk2 0.0052 0.0078 0.5
Entamoeba histolytica cyclin, putative 0.0064 0.0363 0.169
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.1765 0.4924
Trichomonas vaginalis cyclin D, putative 0.0064 0.0363 0.169
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Schistosoma mansoni cyclin B 0.0124 0.1765 0.1701
Giardia lamblia Cyclin A 0.0064 0.0363 0.169
Trypanosoma cruzi CYC2-like cyclin, putative 0.0124 0.1765 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1765 0.4943
Trichomonas vaginalis cyclin D, putative 0.0064 0.0363 0.169
Loa Loa (eye worm) hypothetical protein 0.006 0.0262 0.0572
Trichomonas vaginalis cyclins, putative 0.0064 0.0363 0.169
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Loa Loa (eye worm) cyclin domain-containing protein 0.0199 0.3505 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0199 0.3505 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0199 0.3505 1
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Trichomonas vaginalis cyclin B, putative 0.0124 0.1765 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0052 0.0078 0.0038
Entamoeba histolytica cyclin family protein 0.0064 0.0363 0.169
Trypanosoma brucei mitotic cyclin 6 0.0124 0.1765 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0052 0.0078 1
Echinococcus granulosus cyclin b3 0.0064 0.0363 0.0832
Echinococcus multilocularis cyclin b3 0.0064 0.0363 0.0832
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0124 0.1765 1
Trypanosoma cruzi cyclin, putative 0.0124 0.1765 1
Trichomonas vaginalis cyclin B, putative 0.0124 0.1765 1
Trichomonas vaginalis cyclins, putative 0.0124 0.1765 1
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Echinococcus granulosus cyclin B 0.0124 0.1765 0.4924
Trichomonas vaginalis cyclins, putative 0.0124 0.1765 1
Schistosoma mansoni serine-type protease inhibitor 0.0476 1 1
Trypanosoma cruzi cyclin, putative 0.0124 0.1765 1
Leishmania major cyclin 0.0124 0.1765 1
Echinococcus granulosus cyclins 0.0064 0.0363 0.0832
Echinococcus multilocularis cyclin B 0.0124 0.1765 0.4924
Plasmodium falciparum cyclin 0.0064 0.0363 1
Trichomonas vaginalis cyclins, putative 0.0124 0.1765 1
Echinococcus granulosus cyclin B3 1 0.0064 0.0363 0.0832
Onchocerca volvulus 0.0124 0.1765 0.5
Trichomonas vaginalis cyclin B3, putative 0.0064 0.0363 0.169
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0363 0.169
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0078 0.0038
Trichomonas vaginalis cyclins, putative 0.0124 0.1765 1
Entamoeba histolytica cyclin, putative 0.0124 0.1765 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1765 0.4943
Entamoeba histolytica cyclin family protein 0.0064 0.0363 0.169
Echinococcus granulosus cyclins 0.0064 0.0363 0.0832
Echinococcus multilocularis cyclin B3 1 0.0064 0.0363 0.0832
Echinococcus granulosus cyclins 0.0064 0.0363 0.0832
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0078 0.0038
Echinococcus granulosus cyclins 0.0064 0.0363 0.0832
Trichomonas vaginalis cyclin A, putative 0.0124 0.1765 1
Giardia lamblia Hypothetical protein 0.0064 0.0363 0.169
Echinococcus multilocularis cyclins 0.0064 0.0363 0.0832
Schistosoma mansoni cyclins 0.0064 0.0363 0.0287
Trichomonas vaginalis cyclin B, putative 0.0124 0.1765 1
Trichomonas vaginalis cyclin B, putative 0.0124 0.1765 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0199 0.3505 1
Trichomonas vaginalis cyclins, putative 0.0075 0.0624 0.324
Trichomonas vaginalis cyclin B, putative 0.0064 0.0363 0.169
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.1765 0.4924
Giardia lamblia G2/mitotic-specific cyclin B 0.0124 0.1765 1
Schistosoma mansoni cyclin B3 0.0199 0.3505 0.3454
Trypanosoma cruzi cyclin 6, putative 0.0124 0.1765 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 68.6 uM Antileishmanial activity against axenic amastigotes of Leishmania donovani MHOM/SD/1962/1S-Cl2d after 24 hrs by alamar Blue viability assay ChEMBL. 21683592
IC50 (binding) = 1.2 uM dm**-3 Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B ChEMBL. 12941318
IC50 (binding) = 1.2 uM dm**-3 Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B ChEMBL. 12941318
IC50 (functional) = 66 uM dm**-3 In vitro antiproliferative activity against myeloid leukemia K562 cell line ChEMBL. 12941318
IC50 (functional) = 66 uM dm**-3 In vitro antiproliferative activity against myeloid leukemia K562 cell line ChEMBL. 12941318
Inhibition (functional) = 29.6 % Antileishmanial activity against axenic amastigotes of Leishmania donovani MHOM/SD/1962/1S-Cl2d at 30 uM after 24 hrs by alamar Blue viability assay ChEMBL. 21683592

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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