Detailed information for compound 1822227

Basic information

Technical information
  • TDR Targets ID: 1822227
  • Name: [(2R)-1-[6-[(3,5-dimethoxyphenyl)methylamino] -9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]meth anol
  • MW: 426.512 | Formula: C22H30N6O3
  • H donors: 2 H acceptors: 4 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1CCCN1c1nc(NCc2cc(OC)cc(c2)OC)c2c(n1)n(cn2)C(C)C
  • InChi: 1S/C22H30N6O3/c1-14(2)28-13-24-19-20(23-11-15-8-17(30-3)10-18(9-15)31-4)25-22(26-21(19)28)27-7-5-6-16(27)12-29/h8-10,13-14,16,29H,5-7,11-12H2,1-4H3,(H,23,25,26)/t16-/m1/s1
  • InChiKey: LOZDSCZKJJCSPQ-MRXNPFEDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2R)-1-[6-[(3,5-dimethoxyphenyl)methylamino]-9-isopropyl-purin-2-yl]pyrrolidin-2-yl]methanol
  • [(2R)-1-[6-[(3,5-dimethoxyphenyl)methylamino]-9-isopropyl-2-purinyl]-2-pyrrolidinyl]methanol
  • [(2R)-1-[6-[(3,5-dimethoxybenzyl)amino]-9-isopropyl-purin-2-yl]pyrrolidin-2-yl]methanol
  • [(2R)-1-[6-[(3,5-dimethoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]pyrrolidin-2-yl]methanol

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense cdc2-related kinase 3, 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
Leishmania major cell division protein kinase 2,cdc2-related kinase 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
Entamoeba histolytica cell division protein kinase 2, putative 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
Trypanosoma cruzi cdc2-related kinase 1 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
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase 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
Plasmodium berghei cdc2-related kinase 2 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
Loa Loa (eye worm) hypothetical 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
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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
Toxoplasma gondii cell-cycle-associated protein kinase CDK, 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
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
Echinococcus multilocularis cyclin dependent 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative 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
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 CMGC family protein 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
Leishmania infantum 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
Babesia bovis cell division control protein 2, 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
Plasmodium falciparum protein kinase 5 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
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase 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 cdc2-related kinase 3, 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
Theileria parva cell division control protein 2 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 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
Cryptosporidium hominis cdc2-like 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
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase 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
Echinococcus granulosus cyclin dependent kinase 1 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 donovani cell division protein kinase 2 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
Plasmodium yoelii cdc2-related kinase 2 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
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, 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 multilocularis cyclin dependent 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
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.0065 0.0167
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.0065 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0068 0.0075
Schistosoma mansoni dihydroorotate dehydrogenase 0.5513 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0065 0.0068
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.0065 0.013
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0054 0.0068 0.0075
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.5513 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0185
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0052 0.0064 0.0792
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2153 0.3887 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0054 0.0068 0.0029
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.5513 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0039 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0041 0.0004
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0015 0.0011
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0039 0.0041 0.0039
Loa Loa (eye worm) hypothetical protein 0.0051 0.0063 0.0784
Giardia lamblia Kinase, CMGC CDK 0.0052 0.0065 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.0065 0.013
Mycobacterium ulcerans hypothetical protein 0.0025 0.0015 0.0011
Brugia malayi cell division control protein 2 homolog 0.0052 0.0065 0.0065
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0041 0.0037
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0039 0.01
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0039 0.0041 0.0039
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0052 0.0065 0.0167
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0041 0.0037
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0052 0.0065 0.0026
Plasmodium vivax protein kinase Crk2 0.0052 0.0065 0.0061
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.2153 0.3887 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.2153 0.3887 1
Giardia lamblia Kinase, CMGC CDK 0.0052 0.0065 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2153 0.3887 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0039 0.0062
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2153 0.3887 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0068 0.0029
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0065 0.0804
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Schistosoma mansoni hypothetical protein 0.0175 0.0289 0.0289
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.5513 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0064 0.0064
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0032 0.0017
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Plasmodium falciparum dihydroorotate dehydrogenase 0.5513 1 1
Echinococcus multilocularis tumor protein p63 0.035 0.0607 0.1561
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.0065 0.0026
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0045
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0015 0.0011
Trypanosoma brucei cdc2-related kinase 1 0.0052 0.0065 0.0026
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.2153 0.3887 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.5513 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0052 0.0065 0.0804
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0054 0.0068 0.0174
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0041 0.0026
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2153 0.3887 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.2153 0.3887 1
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0041 0.0037
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0045
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0838
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0015 0.0013
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0045
Toxoplasma gondii GAF domain-containing protein 0.0039 0.0041 0.0002
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0185
Echinococcus multilocularis cyclin dependent kinase 0.0052 0.0065 0.0167
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0015 0.0013
Trypanosoma brucei cdc2-related kinase 3 0.0052 0.0065 0.0026
Echinococcus granulosus cyclin dependent kinase 5 0.0052 0.0065 0.0167
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0065 0.0065
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5513 1 1
Toxoplasma gondii hypothetical protein 0.0039 0.0041 0.0002
Toxoplasma gondii hypothetical protein 0.0039 0.0041 0.0002
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2153 0.3887 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0015 0.0011
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0054 0.0068 0.0075
Echinococcus granulosus cyclin dependent kinase 1 0.0052 0.0065 0.0167
Schistosoma mansoni inositol monophosphatase 0.0038 0.0039 0.0039
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0015 0.0015
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0476 0.0836 0.0836
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0054 0.0068 0.0174
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0015 0.0011
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.0065 0.0026
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0054 0.0068 0.0068
Plasmodium falciparum protein kinase 5 0.0052 0.0065 0.0061
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0045
Echinococcus granulosus tumor protein p63 0.035 0.0607 0.1561
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5513 1 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0004 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0015 0.0015
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0065 0.0068
Toxoplasma gondii hypothetical protein 0.0039 0.0041 0.0002
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0054 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0041 0.0004
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.5513 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0064 0.0793
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0068 0.0029
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.0401 0.4959
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Schistosoma mansoni hypothetical protein 0.0175 0.0289 0.0289
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0476 0.0836 0.2151
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0065 0.0068
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0054 0.0068 0.0029
Onchocerca volvulus 0.0051 0.0063 1
Brugia malayi Protein kinase domain containing protein 0.0052 0.0065 0.0065
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0052 0.0065 0.005
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.0065 0.0026
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0054 0.0068 0.0068
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2153 0.3887 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0054 0.0068 0.0029
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.5513 1 1
Brugia malayi Inositol-1 0.0038 0.0039 0.0039
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0063 0.0063
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.5513 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0039 0.0024
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0015 0.0011
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0015 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0041 0.0004
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0476 0.0836 0.2151
Loa Loa (eye worm) hypothetical protein 0.0422 0.0739 0.913
Loa Loa (eye worm) hypothetical protein 0.0052 0.0064 0.0793
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0039 0.01
Loa Loa (eye worm) hypothetical protein 0.0018 0.0004 0.0045
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.5513 1 1
Brugia malayi follicle stimulating hormone receptor 0.0237 0.0401 0.0401
Echinococcus granulosus cyclin dependent kinase 0.0052 0.0065 0.0167
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0032 0.003
Echinococcus granulosus geminin 0.0175 0.0289 0.0745
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0041 0.0004
Loa Loa (eye worm) hypothetical protein 0.0461 0.0809 1
Schistosoma mansoni hypothetical protein 0.0035 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0035 0.0034 0.0426
Plasmodium falciparum GAF domain-related protein, putative 0.0039 0.0041 0.0037
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.0065 0.0167
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0034 0.0034
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0039 0.0041 0.0037
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2153 0.3887 0.3863
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.2153 0.3887 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0054 0.0068 0.0075
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Echinococcus multilocularis cyclin dependent kinase 5 0.0052 0.0065 0.0167
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.0065 0.0804
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0004 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0064 0.0064
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0185
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0052 0.0065 0.005
Schistosoma mansoni inositol monophosphatase 0.0038 0.0039 0.0039
Echinococcus multilocularis geminin 0.0175 0.0289 0.0745
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0015 0.0011
Leishmania major dihydroorotate dehydrogenase 0.5513 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0054 0.0068 0.0075
Loa Loa (eye worm) inositol-1 0.0038 0.0039 0.0482
Brugia malayi Zinc finger, C2H2 type family protein 0.2153 0.3887 0.3887
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.5513 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.3 uM Inhibition of cyclin-dependent kinase 1 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.
 
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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