Detailed information for compound 1342672

Basic information

Technical information
  • TDR Targets ID: 1342672
  • Name: [2-(3-acetyloxy-4-methoxyphenyl)-3,5,7-trimet hoxy-4-oxochromen-6-yl] acetate
  • MW: 458.415 | Formula: C23H22O10
  • H donors: 0 H acceptors: 3 LogP: 2.78 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC(=O)C)c1oc2cc(OC)c(c(c2c(=O)c1OC)OC)OC(=O)C
  • InChi: 1S/C23H22O10/c1-11(24)31-15-9-13(7-8-14(15)27-3)20-23(30-6)19(26)18-16(33-20)10-17(28-4)21(22(18)29-5)32-12(2)25/h7-10H,1-6H3
  • InChiKey: FWZKNPRCZCUJMQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(3-acetoxy-4-methoxy-phenyl)-3,5,7-trimethoxy-4-oxo-chromen-6-yl] acetate
  • acetic acid [2-(3-acetoxy-4-methoxyphenyl)-3,5,7-trimethoxy-4-oxo-6-chromenyl] ester
  • acetic acid [2-(3-acetoxy-4-methoxy-phenyl)-4-keto-3,5,7-trimethoxy-chromen-6-yl] ester
  • [2-(3-acetyloxy-4-methoxy-phenyl)-3,5,7-trimethoxy-4-oxo-chromen-6-yl] ethanoate
  • Oprea1_043708
  • ZINC01082870
  • ST024734
  • NCGC00142389-01
  • NCGC00017303-01
  • TNP00227

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
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 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0196 0.4347 0.4347
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.4347 0.4347
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0306 0.0306
Brugia malayi Nuclear hormone receptor-like 1 0.0196 0.4347 0.4347
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0372 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.4347 0.4347
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0372 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0372 1 1
Loa Loa (eye worm) DR-78 0.0175 0.367 0.367
Brugia malayi nuclear hormone receptor family member odr-7 0.0175 0.367 0.367
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0372 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0306 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0372 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0372 1 1
Brugia malayi tailless protein 0.0175 0.367 0.367
Brugia malayi nuclear receptor RXR 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0372 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0175 0.367 0.367
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0372 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0306 0.0306
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0196 0.4347 0.4347
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Echinococcus granulosus thyroid hormone receptor alpha 0.0175 0.367 0.367
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Brugia malayi jmjC domain containing protein 0.0071 0.0306 0.0306
Brugia malayi Nuclear hormone receptor-like 1 0.0196 0.4347 0.4347
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0372 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0196 0.4347 0.4347
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0372 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0306 0.0306
Loa Loa (eye worm) nuclear receptor NHR-67 0.0175 0.367 0.367
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0175 0.367 0.367
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0372 1 1
Brugia malayi nuclear receptor NHR-67 0.0175 0.367 0.367
Brugia malayi nuclear receptor RXR 0.0196 0.4347 0.4347
Brugia malayi steroid hormone receptor 0.0372 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0372 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0175 0.367 0.367
Echinococcus multilocularis nuclear receptor nhr 48 0.0175 0.367 0.367
Schistosoma mansoni nuclear receptor 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Brugia malayi Nuclear hormone receptor E75 0.0175 0.367 0.367
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0372 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0175 0.367 0.367
Schistosoma mansoni coup transcription factor 0.0372 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.4347 0.4347
Echinococcus granulosus nuclear receptor nhr 48 0.0175 0.367 0.367
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0306 0.0306
Onchocerca volvulus Bile acid receptor homolog 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Schistosoma mansoni zinc finger protein 0.0175 0.367 0.367
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Brugia malayi jmjC domain containing protein 0.0071 0.0306 0.0306
Brugia malayi hypothetical protein 0.0196 0.4347 0.4347
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.4347 0.4347
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0175 0.367 0.367
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0175 0.367 0.367
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Brugia malayi conserved hypotetical protein 0.0175 0.367 0.367
Echinococcus multilocularis ecdysone induced protein 78C 0.0372 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0372 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0175 0.367 0.367
Schistosoma mansoni RAR-like nuclear receptor 0.0372 1 1
Schistosoma mansoni thyroid hormone receptor 0.0372 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0175 0.367 0.367
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0196 0.4347 0.4347
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0372 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0175 0.367 0.367
Brugia malayi Nuclear hormone receptor E75 0.0175 0.367 0.367
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0372 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0372 1 1
Schistosoma mansoni nuclear hormone receptor 0.0175 0.367 0.367
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0175 0.367 0.367
Brugia malayi hypothetical protein 0.0175 0.367 0.367
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0372 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0372 1 1
Echinococcus granulosus FTZ F1 alpha 0.0372 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0372 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0372 1 1
Brugia malayi nuclear hormone receptor 0.0175 0.367 0.367
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0372 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0372 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0372 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0372 1 1
Schistosoma mansoni thyroid hormone receptor 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0372 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0175 0.367 0.367
Onchocerca volvulus 0.0372 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0372 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0372 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0372 1 1
Brugia malayi nuclear receptor NHR-88 0.0175 0.367 0.367
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0372 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0196 0.4347 0.4347
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0175 0.367 0.367
Brugia malayi nuclear hormone receptor family member nhr-6 0.0175 0.367 0.367
Brugia malayi hypothetical protein 0.0196 0.4347 0.4347
Echinococcus granulosus Nuclear hormone receptor HR96 0.0175 0.367 0.367
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0372 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0175 0.367 0.367
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0175 0.367 0.367
Echinococcus multilocularis FTZ F1 alpha 0.0372 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0 0.5
Brugia malayi hypothetical protein 0.0175 0.367 0.367
Brugia malayi Nuclear hormone receptor-like 1 0.0372 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0196 0.4347 0.4347
Loa Loa (eye worm) hypothetical protein 0.0175 0.367 0.367
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0372 1 1
Schistosoma mansoni nuclear hormone receptor 0.0175 0.367 0.367
Brugia malayi photoreceptor-specific nuclear receptor 0.0372 1 1
Brugia malayi nuclear hormone receptor 0.0372 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0372 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0372 1 1
Brugia malayi ecdysone receptor 0.0175 0.367 0.367
Schistosoma mansoni nuclear receptor 0.0175 0.367 0.367
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0306 0.0306
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0372 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0372 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0372 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0372 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0372 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0306 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0372 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0372 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0372 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0372 1 1
Trypanosoma brucei protein kinase, putative 0.0062 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0372 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.0372 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0372 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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