Detailed information for compound 1782190

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.927 | Formula: C29H20ClNO3
  • H donors: 1 H acceptors: 3 LogP: 6.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)/C(=C/1\c2ccccc2N(C1=O)Cc1cccc(c1)C(=O)O)/c1ccccc1
  • InChi: 1S/C29H20ClNO3/c30-23-15-13-21(14-16-23)26(20-8-2-1-3-9-20)27-24-11-4-5-12-25(24)31(28(27)32)18-19-7-6-10-22(17-19)29(33)34/h1-17H,18H2,(H,33,34)/b27-26+
  • InChiKey: BPBOVHROVFJFAH-CYYJNZCTSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, AMP-activated, beta 1 non-catalytic subunit References
Homo sapiens protein kinase, AMP-activated, alpha 2 catalytic subunit References
Homo sapiens protein kinase, AMP-activated, gamma 1 non-catalytic subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit Get druggable targets OG5_128342 All targets in OG5_128342
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative Get druggable targets OG5_127587 All targets in OG5_127587
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans corresponds to C-terminus of S. cerevisiae SNF4 and allelic CaP19.13191 Get druggable targets OG5_128342 All targets in OG5_128342
Echinococcus granulosus AMPK beta subunit Get druggable targets OG5_127587 All targets in OG5_127587
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum HD domain-containing protein 2 homolog, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) 5'-AMP-activated protein kinase Get druggable targets OG5_127587 All targets in OG5_127587
Schistosoma mansoni protein kinase subunit beta Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania infantum serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania braziliensis protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum MAP/microtubule affinity-regulating kinase 4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania donovani 5'-AMP-activated protein kinase subunit beta, putative Get druggable targets OG5_127587 All targets in OG5_127587
Cryptosporidium parvum OSK4, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Schistosoma mansoni protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Cryptosporidium parvum AMP-activated protein kinase beta chain (has isoamylase N-terminal domain) Get druggable targets OG5_127587 All targets in OG5_127587
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Babesia bovis hypothetical protein Get druggable targets OG5_127587 All targets in OG5_127587
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Candida albicans glucose repression Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma Get druggable targets OG5_128342 All targets in OG5_128342
Schistosoma japonicum ko:K07200 5'-AMP-activated protein kinase, regulatory gamma subunit, putative Get druggable targets OG5_128342 All targets in OG5_128342
Trypanosoma brucei gambiense serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans protein serine/threonine kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K08796 BR serine/threonine kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Onchocerca volvulus Alicorn homolog Get druggable targets OG5_127587 All targets in OG5_127587
Plasmodium vivax serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) loechrig isoform VII Get druggable targets OG5_128342 All targets in OG5_128342
Leishmania donovani SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum expressed protein Get druggable targets OG5_127587 All targets in OG5_127587
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma japonicum ko:K07198 5'-AMP-activated protein kinase, catalytic alpha subunit, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Toxoplasma gondii histone kinase SNF1, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative Get druggable targets OG5_127587 All targets in OG5_127587
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta Get druggable targets OG5_127587 All targets in OG5_127587
Echinococcus granulosus serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi loechrig isoform VII Get druggable targets OG5_128342 All targets in OG5_128342
Candida albicans glucose repression Get druggable targets OG5_127587 All targets in OG5_127587
Theileria parva hypothetical protein Get druggable targets OG5_127587 All targets in OG5_127587
Trypanosoma brucei gambiense protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis serine:threonine kinase SAD 1 Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans similar to S. cerevisiae HSL1 (YKL101W) serine/threonine-protein kinase involved in cell cycle control Get druggable targets OG5_126655 All targets in OG5_126655
Theileria parva 5'-AMP-activated protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Cryptosporidium hominis gal83 protein Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania donovani 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus granulosus 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit Get druggable targets OG5_127587 All targets in OG5_127587
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum protein kinase, putative,SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma congolense SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Neospora caninum hypothetical protein Get druggable targets OG5_127587 All targets in OG5_127587
Schistosoma japonicum 5'-AMP-activated protein kinase subunit gamma-2, putative Get druggable targets OG5_128342 All targets in OG5_128342
Echinococcus multilocularis 5' AMP activated protein kinase catalytic Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium knowlesi serine/threonine protein kinase KIN, putative Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania braziliensis serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Giardia lamblia Kinase, CAMK CAMKL Get druggable targets OG5_126655 All targets in OG5_126655
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127587 All targets in OG5_127587
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein Get druggable targets OG5_127587 All targets in OG5_127587
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans release from glucose repression, invertase expression Get druggable targets OG5_128342 All targets in OG5_128342
Trypanosoma cruzi SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Echinococcus multilocularis AMPK beta subunit Get druggable targets OG5_127587 All targets in OG5_127587
Leishmania mexicana serine/threonine protein kinase, putative,protein kinase, putative Get druggable targets OG5_126655 All targets in OG5_126655
Candida albicans glucose repression Get druggable targets OG5_128342 All targets in OG5_128342
Candida albicans bud neck kinase Get druggable targets OG5_126655 All targets in OG5_126655
Trypanosoma brucei SNF1-related protein kinases, putative Get druggable targets OG5_126655 All targets in OG5_126655
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein Get druggable targets OG5_127587 All targets in OG5_127587
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase Get druggable targets OG5_126655 All targets in OG5_126655
Babesia bovis protein kinase domain containing protein Get druggable targets OG5_126655 All targets in OG5_126655
Brugia malayi putative serine/threonine kinase SADA gamma Get druggable targets OG5_126655 All targets in OG5_126655
Plasmodium falciparum serine/threonine protein kinase KIN Get druggable targets OG5_126655 All targets in OG5_126655
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi CBS domain containing protein protein kinase, AMP-activated, gamma 1 non-catalytic subunit 340 aa 312 aa 23.7 %
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 protein kinase, AMP-activated, beta 1 non-catalytic subunit 270 aa 236 aa 47.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis geminin 0.0171 0.4165 0.4158
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0136 0.3173 0.3166
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0266 0.695 1
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.004 0.0383 0.0384
Echinococcus multilocularis transcription factor Dp 1 0.0154 0.3691 0.3684
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0068 0.1196 0.1215
Loa Loa (eye worm) hypothetical protein 0.005 0.0669 0.068
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0264 0.0254
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Leishmania major hypothetical protein, conserved 0.0068 0.1196 0.1707
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0037 0.0277 0.0266
Echinococcus granulosus geminin 0.0171 0.4165 0.4158
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0037 0.0277 0.0266
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0266 0.695 1
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.3372 0.4844
Schistosoma mansoni hypothetical protein 0.0171 0.4165 0.5986
Schistosoma mansoni protein kinase subunit gamma 0.0136 0.3173 0.4557
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0266 0.695 1
Schistosoma mansoni hypothetical protein 0.0171 0.4165 0.5986
Schistosoma mansoni protein kinase subunit beta 0.0037 0.0277 0.0383
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Echinococcus granulosus traf and tnf receptor associated protein 0.0371 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0264 0.0365
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0266 0.695 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0361 0.9685 1
Schistosoma mansoni hypothetical protein 0.0034 0.0209 0.0285
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.0143 0.3372 0.3372
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0068 0.1196 0.1707
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0366 0.9838 1
Onchocerca volvulus Alicorn homolog 0.006 0.0945 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0264 0.0365
Loa Loa (eye worm) hypothetical protein 0.0027 0.0011 0.0011
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0136 0.3173 0.3166
Loa Loa (eye worm) hypothetical protein 0.0034 0.0209 0.0212
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0068 0.1196 0.1196
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0068 0.1196 0.1707
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0266 0.695 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0669 0.068
Entamoeba histolytica hypothetical protein 0.0036 0.0264 0.0365
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0068 0.1196 0.1196
Loa Loa (eye worm) loechrig isoform VII 0.0136 0.3173 0.3225
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0264 0.0365
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0068 0.1196 0.1707
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0266 0.695 0.6947
Brugia malayi loechrig isoform VII 0.0136 0.3173 0.3173
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0266 0.695 0.695
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0128 0.2928 0.292
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0264 0.0365
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0209 0.0209
Schistosoma mansoni protein kinase subunit beta 0.0068 0.1196 0.1707
Brugia malayi hypothetical protein 0.0036 0.0264 0.0264
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0027 0.0011 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0266 0.695 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0266 0.695 0.6947
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0264 0.0254
Plasmodium falciparum serine/threonine protein kinase KIN 0.0027 0.0011 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0068 0.1196 0.3747
Trichomonas vaginalis CAMK family protein kinase 0.0027 0.0011 0.5
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0136 0.3173 1
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0143 0.3372 0.3365
Echinococcus multilocularis AMPK beta subunit 0.0068 0.1196 0.1186
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0143 0.3372 0.3365
Schistosoma mansoni hypothetical protein 0.0036 0.0264 0.0365
Echinococcus multilocularis traf and tnf receptor associated protein 0.0371 1 1
Echinococcus granulosus AMPK beta subunit 0.0068 0.1196 0.1186
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0669 0.0669
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase 0.0027 0.0011 0.0011
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0143 0.3372 0.3428
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0266 0.695 0.7064
Echinococcus granulosus transcription factor Dp 1 0.0154 0.3691 0.3684
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0669 0.0669
Brugia malayi putative serine/threonine kinase SADA gamma 0.0027 0.0011 0.0011

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activity at Aurora A (unknown origin) ChEMBL. 24900695
Activity (binding) Activity at MARK2 (unknown origin) ChEMBL. 24900695
Activity (binding) Activity at IKKbeta (unknown origin) ChEMBL. 24900695
Activity (binding) Activity at MELK (unknown origin) ChEMBL. 24900695
Activity (binding) Activity at GSK3beta (unknown origin) ChEMBL. 24900695
Activity (functional) = 0.54 mM Antidiabetic activity in diet-induced obese C57BL/6J mouse assessed as reduction in plasma triglyceride at 150 mg/kg, po qd for 4 weeks (Rvb = 0.62 +/- 0.02 mM) ChEMBL. 24900695
EC50 (binding) = 1.2 uM Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) after 2 hrs by scintillation proximity assay ChEMBL. 24900695
Efficacy (binding) = 110 % Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) at 20 ug/mL after 2 hrs by scintillation proximity assay relative to AMP ChEMBL. 24900695
IC50 (binding) > 20 uM Inhibition of human ERG ChEMBL. 24900695
Inhibition (ADMET) Inhibition of CYP2C9 (unknown origin) ChEMBL. 24900695
Inhibition (ADMET) Inhibition of CYP3A4 (unknown origin) ChEMBL. 24900695
Inhibition (ADMET) Inhibition of CYP2C19 (unknown origin) ChEMBL. 24900695
Inhibition (ADMET) Inhibition of CYP1A2 (unknown origin) ChEMBL. 24900695
Inhibition (ADMET) Inhibition of CYP2D6 (unknown origin) ChEMBL. 24900695

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.