Detailed information for compound 1714432

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.562 | Formula: C28H30N4O4
  • H donors: 1 H acceptors: 3 LogP: 2.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCN1CCOc1ccc2cc1COCC=CCOCc1cc(c3nc(N2)ncc3)ccc1
  • InChi: 1S/C28H30N4O4/c33-27-7-4-12-32(27)13-16-36-26-9-8-24-18-23(26)20-35-15-2-1-14-34-19-21-5-3-6-22(17-21)25-10-11-29-28(30-24)31-25/h1-3,5-6,8-11,17-18H,4,7,12-16,19-20H2,(H,29,30,31)
  • InChiKey: HWPAUBMGDYJWHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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 Janus kinase 3 Starlite/ChEMBL References
Homo sapiens Janus kinase 1 Starlite/ChEMBL References
Homo sapiens cyclin A2 References
Homo sapiens fms-related tyrosine kinase 3 Starlite/ChEMBL References
Homo sapiens cyclin A1 Starlite/ChEMBL References
Homo sapiens Janus kinase 2 Starlite/ChEMBL References
Homo sapiens cyclin-dependent kinase 3 References
Homo sapiens tyrosine kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei cdc2-related kinase 1 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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus 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
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cyclin 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
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
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 cruzi cdc2-related kinase 1 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
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative 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
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative 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 cdc2-related kinase 3 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
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum cyclin 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
Entamoeba histolytica cyclin, 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
Trypanosoma cruzi cdc2-related kinase 3 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 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
Trypanosoma brucei mitotic cyclin 6 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
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
Theileria parva cell division control protein 2 related 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
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase 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
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
Giardia lamblia G2/mitotic-specific cyclin B 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
Trichomonas vaginalis cyclin B, 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
Neospora caninum CMGC kinase, CDK family TgPK2, putative 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
Echinococcus multilocularis cyclin dependent kinase 1 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
Trichomonas vaginalis CMGC family 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
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
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase 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
Leishmania infantum 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
Schistosoma mansoni cyclin B 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
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
Schistosoma japonicum ko:K05868 cyclin B, 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
Trypanosoma congolense cdc2-related kinase 1, putative 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
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 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
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 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 infantum cell division 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 cyclins, 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
Loa Loa (eye worm) CMGC/CDK/CDK5 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
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans hypothetical protein 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
Brugia malayi 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
Entamoeba histolytica cell division protein kinase 2, putative 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
Echinococcus multilocularis cyclin dependent 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
Trichomonas vaginalis cyclin B, putative 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
Loa Loa (eye worm) hypothetical protein 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 braziliensis 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
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related 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
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, 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
Trypanosoma cruzi cdc2-related kinase 3 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
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin 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 3 305 aa 303 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cyclin B 0.009 1 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0221 0.0077
Trypanosoma brucei cdc2-related kinase 1 0.0052 0.4762 0.3841
Giardia lamblia Kinase, CMGC CDK 0.0052 0.4762 0.2782
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0336 0.139
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0038 0.2743 0.2636
Trichomonas vaginalis cyclin B, putative 0.009 1 1
Leishmania major cyclin 0.009 1 1
Echinococcus multilocularis cyclin B 0.009 1 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0221 0.0221
Trichomonas vaginalis cyclins, putative 0.009 1 1
Schistosoma mansoni bromodomain containing protein 0.0072 0.7447 0.741
Plasmodium falciparum cyclin 0.0038 0.2743 0.5438
Brugia malayi hypothetical protein 0.0028 0.1495 0.141
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0221 0.0077
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0221 0.0077
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.4762 0.3995
Echinococcus granulosus cyclins 0.0038 0.2743 0.2743
Mycobacterium ulcerans hypothetical protein 0.0027 0.1277 1
Schistosoma mansoni cyclins 0.0038 0.2743 0.2636
Echinococcus multilocularis cyclin B3 1 0.0038 0.2743 0.2636
Brugia malayi Protein kinase domain containing protein 0.0052 0.4762 0.4709
Brugia malayi Cyclin, N-terminal domain containing protein 0.0038 0.2743 0.267
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.1079 0.0948
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.4762 0.3841
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.1079 0.1079
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.1277 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0221 0.0077
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.1079 0.0948
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.6888 0.6842
Loa Loa (eye worm) hypothetical protein 0.0027 0.1277 0.1148
Loa Loa (eye worm) hypothetical protein 0.0052 0.4812 0.4736
Trichomonas vaginalis cyclin B, putative 0.009 1 1
Echinococcus granulosus roundabout 2 0.0019 0.0145 0.0145
Echinococcus granulosus cyclin dependent kinase 5 0.0052 0.4762 0.4762
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.1277 1
Trichomonas vaginalis cyclins, putative 0.009 1 1
Trypanosoma cruzi cyclin, putative 0.009 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0052 0.4762 0.4762
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Trypanosoma cruzi cdc2-related kinase 1 0.0052 0.4762 0.3841
Leishmania major hypothetical protein, conserved 0.0028 0.1495 0.025
Entamoeba histolytica cyclin family protein 0.0038 0.2743 0.168
Trypanosoma cruzi cyclin 6, putative 0.009 1 1
Schistosoma mansoni hypothetical protein 0.0023 0.078 0.0645
Brugia malayi Bromodomain containing protein 0.0043 0.3542 0.3478
Loa Loa (eye worm) hypothetical protein 0.0046 0.3923 0.3834
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0221 0.0077
Echinococcus multilocularis cyclin dependent kinase 5 0.0052 0.4762 0.4684
Echinococcus granulosus cyclin B 0.009 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.1277 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.4762 0.4684
Entamoeba histolytica cyclin, putative 0.0038 0.2743 0.168
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.3172 0.3172
Loa Loa (eye worm) hypothetical protein 0.008 0.8611 0.859
Loa Loa (eye worm) TK/KIN16 protein kinase 0.003 0.1675 0.1552
Schistosoma mansoni zinc finger protein 0.0022 0.0615 0.0477
Echinococcus granulosus zinc finger protein 0.0022 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0194
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.3172 0.3071
Plasmodium vivax protein kinase Crk2 0.0052 0.4762 1
Trypanosoma brucei cdc2-related kinase 3 0.0052 0.4762 0.3841
Loa Loa (eye worm) hypothetical protein 0.0027 0.1277 0.1148
Brugia malayi Fibronectin type III domain containing protein 0.0019 0.0145 0.0047
Loa Loa (eye worm) hypothetical protein 0.0027 0.1277 0.1148
Echinococcus granulosus cyclin dependent kinase 1 0.0052 0.4762 0.4762
Loa Loa (eye worm) hypothetical protein 0.0019 0.0221 0.0077
Trichomonas vaginalis cyclins, putative 0.0062 0.6064 0.4577
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.078 0.0645
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.1495 0.262
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.1277 1
Trypanosoma cruzi cyclin, putative 0.009 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.1277 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.1277 1
Trichomonas vaginalis cyclins, putative 0.009 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.4762 0.4684
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.009 1 1
Echinococcus multilocularis zinc finger protein 0.0022 0.0615 0.0477
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.1277 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1495 0.262
Echinococcus multilocularis cyclin dependent kinase 0.0052 0.4762 0.4684
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.1277 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0194
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.4762 0.3841
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0019 0.0145 0.0145
Schistosoma mansoni cyclin B3 0.0038 0.2743 0.2636
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.4762 0.2782
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0052 0.4762 0.3995
Trichomonas vaginalis cyclin B, putative 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.009 1 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0038 0.2743 0.2636
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0038 0.2743 0.2743
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0194
Plasmodium falciparum protein kinase 5 0.0052 0.4762 1
Echinococcus granulosus Immunoglobulin 0.0019 0.0145 0.0145
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.4762 0.2782
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0194
Entamoeba histolytica cyclin, putative 0.009 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.1675 0.1592
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.4762 0.4684
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.0145 0.0047
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1277 0.119
Loa Loa (eye worm) hypothetical protein 0.0052 0.4685 0.4606
Onchocerca volvulus 0.009 1 1
Brugia malayi Bromodomain containing protein 0.0085 0.9279 0.9272
Loa Loa (eye worm) hypothetical protein 0.0043 0.3553 0.3458
Brugia malayi cell division control protein 2 homolog 0.0052 0.4762 0.4709
Echinococcus granulosus cyclin dependent kinase 0.0052 0.4762 0.4762
Brugia malayi Cyclin, N-terminal domain containing protein 0.009 1 1
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.1495 0.0014
Echinococcus multilocularis cyclin b3 0.0038 0.2743 0.2636
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.1277 1
Trypanosoma brucei mitotic cyclin 6 0.009 1 1
Echinococcus granulosus twitchin 0.0019 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0194
Giardia lamblia G2/mitotic-specific cyclin B 0.009 1 1
Echinococcus granulosus cyclin b3 0.0038 0.2743 0.2743
Trichomonas vaginalis cyclin B, putative 0.009 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.4762 0.2782
Trichomonas vaginalis cyclin A, putative 0.009 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0052 0.4762 0.4684
Loa Loa (eye worm) hypothetical protein 0.0048 0.4222 0.4137
Echinococcus granulosus cyclins 0.0038 0.2743 0.2743
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Echinococcus granulosus cyclin B3 1 0.0038 0.2743 0.2743
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.4762 0.4684
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0052 0.4762 0.4684
Echinococcus granulosus cyclins 0.0038 0.2743 0.2743
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0221 0.0077
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.6888 0.6888
Echinococcus granulosus neuroglian 0.0019 0.0145 0.0145
Brugia malayi hypothetical protein 0.0019 0.0145 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.1277 1
Trichomonas vaginalis cyclins, putative 0.009 1 1
Echinococcus granulosus cyclins 0.0038 0.2743 0.2743
Giardia lamblia Kinase, CMGC CDK 0.0052 0.4762 0.2782
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1277 0.119
Entamoeba histolytica cyclin family protein 0.0038 0.2743 0.168
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0052 0.4762 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.1495 0.137
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1277 0.119
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1495 0.262
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0221 0.0221
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0336 0.5
Brugia malayi PHD-finger family protein 0.0028 0.1449 0.1364
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Echinococcus granulosus defective proboscis extension response 0.0019 0.0145 0.0145
Trypanosoma cruzi cdc2-related kinase 3 0.0052 0.4762 0.3841
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0052 0.4762 0.3995
Echinococcus multilocularis cyclins 0.0038 0.2743 0.2636
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0317 0.0174
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.1277 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0052 0.4762 0.4684
Entamoeba histolytica cell division protein kinase 2, putative 0.0052 0.4762 0.3995
Echinococcus granulosus cyclins 0.0038 0.2743 0.2743

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.022 uM Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay ChEMBL. 21604762
IC50 (binding) = 0.14 uM Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay ChEMBL. 21604762
IC50 (binding) = 0.18 uM Inhibition of recombinant TYK2 ChEMBL. 21604762
IC50 (binding) = 0.5 uM Inhibition of recombinant JAK3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay ChEMBL. 21604762
IC50 (binding) = 1.3 uM Inhibition of recombinant JAK1 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay ChEMBL. 21604762
IC50 (binding) = 9.4 uM Inhibition of recombinant CDK2/Cyclin A using RbinG as substrate after 2 hrs by luminescence assay ChEMBL. 21604762

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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