Detailed information for compound 1510055

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 448.6 | Formula: C27H36N4O2
  • H donors: 2 H acceptors: 2 LogP: 3.89 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1ccc2cc1NC[C@H]1CCCCN1CCCc1n2c2CC(C)(C)CC(=O)c2c1C
  • InChi: 1S/C27H36N4O2/c1-17-22-8-6-12-30-11-5-4-7-19(30)16-29-21-13-18(9-10-20(21)26(28)33)31(22)23-14-27(2,3)15-24(32)25(17)23/h9-10,13,19,29H,4-8,11-12,14-16H2,1-3H3,(H2,28,33)/t19-/m1/s1
  • InChiKey: VNNXUBVMSLWQDG-LJQANCHMSA-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 heat shock protein 90kDa alpha (cytosolic), class A member 1 Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania mexicana lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) heat shock protein 75 0.0016 0.0023 0.0023
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.0189 1
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0538 0.3766 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0227 0.0227
Echinococcus multilocularis heat shock protein 90 0.0039 0.0189 0.0189
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Brugia malayi Hsp90 protein 0.0016 0.0023 0.0023
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.0132 0.5
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0132 0.0291
Plasmodium falciparum endoplasmin, putative 0.0024 0.008 0.0153
Echinococcus multilocularis heat shock protein 90 0.0031 0.0132 0.0132
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.0189 0.0444
Brugia malayi Endoplasmin precursor 0.0039 0.0189 0.0189
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Loa Loa (eye worm) heat shock protein 90 0.0039 0.0189 0.0189
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0256 0.0256
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0016 0.0023 0.0023
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0189 0.0444
Schistosoma mansoni heat shock protein 0.0039 0.0189 0.0189
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0031 0.0132 0.0132
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0189 0.9074
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0189 0.0444
Schistosoma mansoni heat shock protein 0.0039 0.0189 0.0189
Trichomonas vaginalis endoplasmin, putative 0.0024 0.008 0.3131
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0538 0.3766 1
Echinococcus granulosus heat shock protein 0.0039 0.0189 0.0189
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.0132 0.0291
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0132 0.5943
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0016 0.0023 0.0023
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.0074 0.0136
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0538 0.3766 1
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0538 0.3766 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0206 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0227 0.0227
Loa Loa (eye worm) hypothetical protein 0.0039 0.0185 0.0185
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.0132 0.0291
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0256 0.0256
Plasmodium vivax heat shock protein 86, putative 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.0189 0.0444
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0189 1
Echinococcus granulosus heat shock protein 90 0.0031 0.0132 0.0132
Schistosoma mansoni heat shock protein 0.0016 0.0023 0.0023
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Schistosoma mansoni endoplasmin 0.0039 0.0189 0.0189
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0016 0.0023 0.5
Brugia malayi heat shock protein 90 0.0039 0.0189 0.0189
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Loa Loa (eye worm) endoplasmin 0.0039 0.0189 0.0189
Echinococcus granulosus endoplasmin 0.0031 0.0132 0.0132
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0189 0.0444
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0132 0.5943
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Treponema pallidum heat shock protein 90 0.0031 0.0132 0.5
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0227 0.0227
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.0189 1
Plasmodium falciparum heat shock protein 90 0.0039 0.0189 0.0444
Schistosoma mansoni endoplasmin 0.0039 0.0189 0.0189
Echinococcus granulosus heat shock protein 90 0.0039 0.0189 0.0189
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0538 0.3766 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0538 0.3766 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0227 0.0227
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0132 0.5943
Toxoplasma gondii heat shock protein HSP90 0.0039 0.0189 0.0444
Leishmania major heat shock protein 83-1 0.0039 0.0189 0.0444
Echinococcus multilocularis endoplasmin 0.0031 0.0132 0.0132
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein, putative 0.0039 0.0189 0.0444
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0189 0.0444
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0206 1
Echinococcus multilocularis heat shock protein 0.0039 0.0189 0.0189
Trichomonas vaginalis heat shock protein, putative 0.0024 0.008 0.3131
Plasmodium vivax endoplasmin, putative 0.0039 0.0189 0.0444

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.032 uM Antiproliferative activity against human HCT116 cells by luminescence assay ChEMBL. 21605975
IC50 (binding) = 0.126 uM Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay ChEMBL. 21605975
IC50 (binding) = 0.9 uM Inhibition of human ERG by HT patch clamp assay ChEMBL. 21605975
Inhibition (ADMET) = 0 % Inhibition of CYP2C9 at 3 uM ChEMBL. 21605975
Inhibition (ADMET) = 16 % Inhibition of CYP2D6 at 3 uM ChEMBL. 21605975
Inhibition (ADMET) = 77 % Inhibition of CYP3A4 at 3 uM ChEMBL. 21605975
T1/2 (ADMET) = 27 min Half life in mouse liver microsomes ChEMBL. 21605975

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21605975

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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