Detailed information for compound 30329

Basic information

Technical information
  • TDR Targets ID: 30329
  • Name: 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-pro pan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol
  • MW: 423.508 | Formula: C23H29N5O3
  • H donors: 2 H acceptors: 4 LogP: 3.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C#Cc1nc(NCc2ccc(c(c2)OC)OC)c2c(n1)n(cn2)C(C)C)(O)C
  • InChi: 1S/C23H29N5O3/c1-7-23(4,29)11-10-19-26-21(20-22(27-19)28(14-25-20)15(2)3)24-13-16-8-9-17(30-5)18(12-16)31-6/h8-9,12,14-15,29H,7,13H2,1-6H3,(H,24,26,27)
  • InChiKey: UGEYGBMCWLIANH-UHFFFAOYSA-N  


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Synonyms

  • 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol
  • 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-isopropyl-2-purinyl]-3-methyl-1-pentyn-3-ol
  • 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol
  • 1-[9-isopropyl-6-(veratrylamino)purin-2-yl]-3-methyl-pent-1-yn-3-ol
  • 1-[6-[(3,4-dimethoxyphenyl)methylamino]-9-isopropyl-2-purinyl]-3-methylpent-1-yn-3-ol
  • 1-[6-[(3,4-dimethoxybenzyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol
  • C-2 alkynylated purine deriv. 4g

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 5 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens cyclin B2 Starlite/ChEMBL References
Homo sapiens cyclin B1 References
Homo sapiens cyclin B3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trypanosoma cruzi cyclin, 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 infantum cell division protein kinase 2,cdc2-related kinase 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
Trichomonas vaginalis CMGC family protein 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
Trypanosoma cruzi cdc2-related 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
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase 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
Leishmania infantum cell division related 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
Trichomonas vaginalis cyclin A, 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 cdc2-related kinase 1 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
Brugia malayi Cyclin, N-terminal domain containing 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
Babesia bovis cell division control protein 2, putative 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
Brugia malayi cell division control protein 2 homolog 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
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein 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
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 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
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
Echinococcus granulosus cyclin dependent kinase 5 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
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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Trypanosoma cruzi cyclin, putative 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
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative 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
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B 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
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein 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
Trichomonas vaginalis CMGC family protein 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
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus G2:mitotic specific cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 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
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_134175 All targets in OG5_134175
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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
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
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium knowlesi Cell division control protein 2 homolog 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
Plasmodium berghei cdc2-related kinase 2 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
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Plasmodium yoelii cdc2-related kinase 2 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
Leishmania braziliensis 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
Giardia lamblia G2/mitotic-specific cyclin B 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
Echinococcus multilocularis cyclin dependent kinase 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 braziliensis cell division related protein kinase 2,cdc2-related 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 cruzi cdc2-related kinase 1 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
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
Echinococcus granulosus cyclin dependent 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
Schistosoma mansoni cyclin B3 Get druggable targets OG5_134175 All targets in OG5_134175
Loa Loa (eye worm) cyclin domain-containing protein Get druggable targets OG5_134175 All targets in OG5_134175
Schistosoma japonicum ko:K05868 cyclin B, 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
Cryptosporidium hominis cdc2-like 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
Entamoeba histolytica cell division protein kinase 2, 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 braziliensis CYC2-like cyclin, putative,cyclin 6, 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
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 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 cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cyclin 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
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
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
Echinococcus multilocularis cyclin dependent kinase 5 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
Trichomonas vaginalis CMGC family protein 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
Plasmodium falciparum protein kinase 5 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
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cyclin 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
Trichomonas vaginalis cyclins, 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
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 5 260 aa 307 aa 28.3 %
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 Carboxylesterase family protein 0.0139 0.5478 0.5348
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0292 0.146
Trypanosoma brucei cdc2-related kinase 1 0.0104 0.3925 0.8016
Brugia malayi hypothetical protein 0.0165 0.6666 0.6569
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1849 0.922
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0292 0.146
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0317 0.0078
Entamoeba histolytica cell division protein kinase 2, putative 0.0104 0.3925 0.8
Loa Loa (eye worm) hypothetical protein 0.0124 0.4827 0.4805
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Entamoeba histolytica cyclin family protein 0.0064 0.213 0.402
Echinococcus multilocularis cyclin dependent kinase 5 0.0104 0.3925 0.3742
Echinococcus granulosus cyclin B 0.0124 0.4827 0.4672
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2001 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0104 0.3925 0.8016
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3925 0.461
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0317 0.0037
Brugia malayi PAS domain containing protein 0.0049 0.1452 0.1204
Trypanosoma cruzi cdc2-related kinase 1 0.0104 0.3925 0.8016
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0104 0.3925 0.3898
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0281 0.1212
Echinococcus multilocularis carboxylesterase 5A 0.0139 0.5478 0.5342
Loa Loa (eye worm) hypothetical protein 0.0024 0.0317 0.0274
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Entamoeba histolytica cyclin family protein 0.0064 0.213 0.402
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0317 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0124 0.4827 1
Onchocerca volvulus 0.0049 0.1433 0.2515
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0317 0.1394
Trypanosoma cruzi cdc2-related kinase 1 0.0104 0.3925 0.8016
Trichomonas vaginalis cyclin B, putative 0.0124 0.4827 1
Echinococcus multilocularis cyclin dependent kinase 0.0104 0.3925 0.3742
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0281 0.0238
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0317 0.0037
Loa Loa (eye worm) hypothetical protein 0.0124 0.4827 0.4805
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2001 0.2169
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2001 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.5478 0.5458
Trypanosoma cruzi cdc2-related kinase 3 0.0104 0.3925 0.8016
Echinococcus multilocularis cyclin dependent kinase 1 0.0104 0.3925 0.3742
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.2001 1
Loa Loa (eye worm) carboxylesterase 0.0023 0.0292 0.0249
Schistosoma mansoni cyclin B3 0.0199 0.8173 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0281 0.0238
Echinococcus multilocularis cyclin B3 1 0.0064 0.213 0.1893
Loa Loa (eye worm) hypothetical protein 0.0139 0.5478 0.5458
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1849 0.9237
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.3925 0.8011
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0876 0.0612
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1849 0.1613
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0044 0.5
Giardia lamblia Kinase, CMGC CDK 0.0104 0.3925 0.6656
Loa Loa (eye worm) hypothetical protein 0.0024 0.0317 0.0274
Trichomonas vaginalis cyclins, putative 0.0075 0.2633 0.5162
Trichomonas vaginalis cyclin B3, putative 0.0064 0.213 0.4052
Echinococcus multilocularis cyclin B 0.0124 0.4827 0.4672
Loa Loa (eye worm) acetylcholinesterase 1 0.0139 0.5478 0.5458
Loa Loa (eye worm) hypothetical protein 0.0165 0.6666 0.6651
Echinococcus granulosus survival motor neuron protein 1 0.0239 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.2001 1
Echinococcus granulosus cyclin dependent kinase 5 0.0104 0.3925 0.3742
Trichomonas vaginalis cyclin D, putative 0.0064 0.213 0.4052
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1849 0.3448
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.1452 0.1471
Loa Loa (eye worm) hypothetical protein 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Echinococcus granulosus cyclins 0.0064 0.213 0.1893
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.2001 0.3784
Echinococcus granulosus cyclin B3 1 0.0064 0.213 0.1893
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0317 0.0078
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1433 0.1185
Echinococcus granulosus carboxylesterase 5A 0.0139 0.5478 0.5342
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0876 0.4253
Loa Loa (eye worm) hypothetical protein 0.0103 0.3875 0.3848
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0876 0.0602
Echinococcus granulosus acetylcholinesterase 0.0139 0.5478 0.5342
Brugia malayi Carboxylesterase family protein 0.0023 0.0292 0.0011
Echinococcus multilocularis survival motor neuron protein 1 0.0239 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.3925 0.8011
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Trichomonas vaginalis cyclin B, putative 0.0064 0.213 0.4052
Trichomonas vaginalis cyclins, putative 0.0124 0.4827 1
Echinococcus multilocularis acetylcholinesterase 0.0139 0.5478 0.5342
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0317 0.1394
Trypanosoma cruzi cyclin, putative 0.0124 0.4827 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Loa Loa (eye worm) hypoxia-induced factor 1 0.0152 0.609 0.6073
Schistosoma mansoni cyclins 0.0064 0.213 0.2332
Onchocerca volvulus 0.0024 0.0317 0.0054
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0317 0.1394
Echinococcus granulosus cyclin dependent kinase 0.0104 0.3925 0.3742
Trypanosoma cruzi CYC2-like cyclin, putative 0.0124 0.4827 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0104 0.3925 0.3898
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0317 0.0078
Trichomonas vaginalis cyclin B, putative 0.0124 0.4827 1
Echinococcus granulosus cyclin dependent kinase 1 0.0104 0.3925 0.3742
Entamoeba histolytica cell division protein kinase 2, putative 0.0104 0.3925 0.8
Brugia malayi Cytochrome P450 family protein 0.0034 0.0751 0.0483
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.4827 0.4678
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0044 0.022
Mycobacterium ulcerans hypothetical protein 0.0024 0.0317 0.1394
Brugia malayi hypoxia-induced factor 1 0.0152 0.609 0.5977
Echinococcus granulosus cyclins 0.0064 0.213 0.1893
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1849 0.1603
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0317 0.1394
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0139 0.5478 0.6581
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1849 0.922
Plasmodium vivax protein kinase Crk2 0.0104 0.3925 1
Entamoeba histolytica cyclin, putative 0.0124 0.4827 1
Brugia malayi Carboxylesterase family protein 0.0023 0.0292 0.0011
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0104 0.3925 1
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0281 0.0238
Trichomonas vaginalis cyclins, putative 0.0124 0.4827 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0317 0.1394
Brugia malayi Carboxylesterase family protein 0.0023 0.0292 0.0011
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0317 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Brugia malayi Carboxylesterase family protein 0.0023 0.0292 0.0011
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0199 0.8173 0.8118
Brugia malayi Protein kinase domain containing protein 0.0104 0.3925 0.3749
Trypanosoma brucei cdc2-related kinase 3 0.0104 0.3925 0.8016
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0317 0.1583
Loa Loa (eye worm) cyclin domain-containing protein 0.0199 0.8173 0.8165
Loa Loa (eye worm) carboxylesterase 0.0139 0.5478 0.5458
Schistosoma mansoni single-minded 0.0049 0.1452 0.1471
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0751 0.071
Entamoeba histolytica cyclin, putative 0.0064 0.213 0.402
Trichomonas vaginalis cyclins, putative 0.0124 0.4827 1
Giardia lamblia Kinase, CMGC CDK 0.0104 0.3925 0.6656
Echinococcus multilocularis cyclin dependent kinase 1 0.0104 0.3925 0.3742
Loa Loa (eye worm) carboxylesterase 0.0023 0.0292 0.0249
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Echinococcus multilocularis acetylcholinesterase 0.0139 0.5478 0.5342
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Echinococcus granulosus cyclins 0.0064 0.213 0.1893
Trichomonas vaginalis cyclins, putative 0.0124 0.4827 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1935 0.19
Plasmodium falciparum cyclin 0.0064 0.213 0.5375
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0104 0.3925 0.3898
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0317 0.0037
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3925 0.461
Echinococcus granulosus cyclins 0.0064 0.213 0.1893
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.1673 0.1636
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.2001 0.2169
Brugia malayi cell division control protein 2 homolog 0.0104 0.3925 0.3749
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0124 0.4827 1
Trypanosoma cruzi cyclin 6, putative 0.0124 0.4827 1
Trichomonas vaginalis cyclin D, putative 0.0064 0.213 0.4052
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0317 0.1394
Onchocerca volvulus 0.0124 0.4827 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.2001 0.2283
Trypanosoma cruzi cyclin, putative 0.0124 0.4827 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0292 0.1268
Echinococcus granulosus cyclins 0.0064 0.213 0.1893
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1849 0.1603
Echinococcus multilocularis cyclin b3 0.0064 0.213 0.1893
Leishmania major cyclin 0.0124 0.4827 1
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.213 0.4052
Schistosoma mansoni survival motor neuron protein 0.0049 0.1433 0.1447
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0317 0.1583
Onchocerca volvulus 0.0036 0.0876 0.1288
Brugia malayi Cyclin, N-terminal domain containing protein 0.0199 0.8173 0.812
Trichomonas vaginalis CMGC family protein kinase 0.0104 0.3925 0.8011
Echinococcus multilocularis cyclins 0.0064 0.213 0.1893
Trichomonas vaginalis cyclin B, putative 0.0124 0.4827 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0124 0.4827 0.4678
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0199 0.8173 0.8118
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.1849 0.1975
Trypanosoma brucei mitotic cyclin 6 0.0124 0.4827 1
Trichomonas vaginalis cyclins, putative 0.0064 0.213 0.4052
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.2001 0.176
Loa Loa (eye worm) hypothetical protein 0.0024 0.0317 0.0274
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0104 0.3925 0.8016
Trichomonas vaginalis cyclin A, putative 0.0124 0.4827 1
Trichomonas vaginalis cyclin B, putative 0.0124 0.4827 1
Schistosoma mansoni cyclin B 0.0124 0.4827 0.5755
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0317 0.1394
Echinococcus granulosus single minded 2 0.0036 0.0876 0.0602
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.2001 0.176
Echinococcus granulosus acetylcholinesterase 0.0139 0.5478 0.5342
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0249
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0292 0.146
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0104 0.3925 0.3742
Plasmodium falciparum protein kinase 5 0.0104 0.3925 1
Schistosoma mansoni hypothetical protein 0.0049 0.1433 0.1447
Brugia malayi hypothetical protein 0.0023 0.0292 0.0011
Trypanosoma cruzi cdc2-related kinase 3 0.0104 0.3925 0.8016
Echinococcus granulosus cyclin b3 0.0064 0.213 0.1893
Brugia malayi Carboxylesterase family protein 0.0139 0.5478 0.5348

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 300 nM In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes ChEMBL. 10753466
IC50 (binding) = 300 nM In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes ChEMBL. 10753466
IC50 (binding) = 0.3 uM Inhibition of Cyclin-dependent kinase 1 (CDK1) ChEMBL. 11063606
IC50 (binding) = 0.3 uM Inhibition of Cyclin-dependent kinase 1 (CDK1) ChEMBL. 11063606
IC50 (binding) = 0.6 uM Inhibitory activity against Cyclin-dependent kinase 5 ChEMBL. 11063606
IC50 (binding) = 0.6 uM Inhibitory activity against Cyclin-dependent kinase 5 ChEMBL. 11063606

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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