Detailed information for compound 155836

Basic information

Technical information
  • TDR Targets ID: 155836
  • Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S )-2-oxo-5-phenyl-1-[[3-(trifluoromethoxy)phen yl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl ]acetic acid
  • MW: 592.565 | Formula: C31H27F3N4O5
  • H donors: 2 H acceptors: 5 LogP: 3.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1nc(nc(c1)C)O[C@@H]([C@]1(NCC(=O)N(c2c1cccc2)Cc1cccc(c1)OC(F)(F)F)c1ccccc1)C(=O)O
  • InChi: 1S/C31H27F3N4O5/c1-19-15-20(2)37-29(36-19)42-27(28(40)41)30(22-10-4-3-5-11-22)24-13-6-7-14-25(24)38(26(39)17-35-30)18-21-9-8-12-23(16-21)43-31(32,33)34/h3-16,27,35H,17-18H2,1-2H3,(H,40,41)/t27-,30+/m1/s1
  • InChiKey: MZAAFBAXCKYSNN-OFSOJUDTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-2-[(5S)-2-oxo-5-phenyl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid
  • (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-5-phenyl-1-[[3-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid
  • (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-keto-5-phenyl-1-[3-(trifluoromethoxy)benzyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens endothelin receptor type B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) hypothetical protein 0.053 0.2058 0.203
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.0119 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0061 0.0034 0.0107
Echinococcus multilocularis mothers against decapentaplegic 6 0.0072 0.0084 0.0265
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0499 0.1924 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0061 0.0034 0.0107
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0099 0.0105
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0693 0.276 0.2735
Loa Loa (eye worm) hypothetical protein 0.0693 0.276 0.2735
Schistosoma mansoni steroid hormone receptor ad4bp 0.0076 0.0099 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0076 0.0099 0.0065
Loa Loa (eye worm) hypothetical protein 0.1496 0.6226 0.6213
Brugia malayi Pax transcription factor protein 2 0.0233 0.0777 0.0745
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0499 0.1924 0.6034
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0691 0.2752 0.8631
Schistosoma mansoni Smad4 0.0072 0.0084 0.0081
Brugia malayi Tyrosine-protein kinase abl-1 0.0282 0.0987 0.0957
Echinococcus multilocularis ecdysone induced protein 78C 0.0076 0.0099 0.0312
Echinococcus granulosus mothers against decapentaplegic 2 0.0072 0.0084 0.0265
Brugia malayi RNA binding protein 0.0792 0.3189 0.3165
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0076 0.0099 0.0105
Brugia malayi Probable ClpP-like protease 0.008 0.0119 0.0085
Loa Loa (eye worm) MH1 domain-containing protein 0.0162 0.047 0.0437
Loa Loa (eye worm) RNA binding protein 0.0792 0.3189 0.3165
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0099 0.0199 0.0624
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0076 0.0099 0.0105
Echinococcus multilocularis isocitrate dehydrogenase 0.0499 0.1924 0.6034
Echinococcus granulosus Smad4 0.0162 0.047 0.1473
Brugia malayi mothers against decapentaplegic homolog 3 0.0072 0.0084 0.005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0099 0.0065
Toxoplasma gondii isocitrate dehydrogenase 0.0499 0.1924 1
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0057 0.0017 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.2371 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0072 0.0084 0.005
Schistosoma mansoni hypothetical protein 0.1496 0.6226 1
Loa Loa (eye worm) TAR-binding protein 0.0792 0.3189 0.3165
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0499 0.1924 0.6034
Schistosoma mansoni smad 0.0162 0.047 0.0703
Brugia malayi hypothetical protein 0.022 0.0723 0.0691
Brugia malayi TAR-binding protein 0.0792 0.3189 0.3165
Brugia malayi steroid hormone receptor 0.0076 0.0099 0.0065
Schistosoma mansoni smad 0.0072 0.0084 0.0081
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0792 0.3189 0.5095
Echinococcus multilocularis mothers against decapentaplegic 5 0.0162 0.047 0.1473
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Toxoplasma gondii isocitrate dehydrogenase 0.0499 0.1924 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0076 0.0099 0.0312
Loa Loa (eye worm) nuclear hormone receptor 0.0525 0.2039 0.2012
Brugia malayi MH2 domain containing protein 0.0072 0.0084 0.005
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0076 0.0099 0.0312
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0099 0.0312
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0499 0.1924 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0076 0.0099 0.0065
Echinococcus granulosus smad 0.0162 0.047 0.1473
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0119 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0076 0.0099 0.0065
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0099 0.0312
Echinococcus multilocularis Glycosyl transferase, family 8 0.0076 0.0102 0.032
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0061 0.0034 0.2867
Schistosoma mansoni Smad4 0.0162 0.047 0.0703
Leishmania major hypothetical protein, conserved 0.022 0.0723 0.3643
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.0099 0.0312
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0119 1
Brugia malayi MH2 domain containing protein 0.0162 0.047 0.0437
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0061 0.0034 0.0178
Loa Loa (eye worm) isocitrate dehydrogenase 0.0499 0.1924 0.1896
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0074 0.0092 0.0287
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0076 0.0099 0.0312
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0499 0.1924 0.6034
Schistosoma mansoni glycosyltransferase-related 0.0076 0.0102 0.0109
Schistosoma mansoni smad1 5 8 and 0.0162 0.047 0.0703
Echinococcus granulosus mothers against decapentaplegic 5 0.0162 0.047 0.1473
Brugia malayi MH1 domain containing protein 0.0162 0.047 0.0437
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0057 0.0017 0.0054
Schistosoma mansoni hypothetical protein 0.0693 0.276 0.4402
Schistosoma mansoni tyrosine kinase 0.0681 0.271 0.4321
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0076 0.0099 0.0312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0076 0.0099 0.0065
Toxoplasma gondii LsmAD domain-containing protein 0.022 0.0723 0.3343
Loa Loa (eye worm) hypothetical protein 0.2189 0.9212 0.921
Loa Loa (eye worm) hypothetical protein 0.0558 0.2179 0.2152
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0061 0.0034 0.5
Echinococcus multilocularis tar DNA binding protein 0.0792 0.3189 1
Loa Loa (eye worm) Smad1 0.0162 0.047 0.0437
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0162 0.047 0.1473
Brugia malayi isocitrate dehydrogenase 0.0499 0.1924 0.1896
Brugia malayi Steroid receptor seven-up type 2 0.0565 0.2212 0.2185
Loa Loa (eye worm) MH2 domain-containing protein 0.0162 0.047 0.0437
Plasmodium vivax ataxin-2 like protein, putative 0.022 0.0723 0.3343
Brugia malayi MH1 domain containing protein 0.0162 0.047 0.0437
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0499 0.1924 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0558 0.2179 0.2152
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0076 0.0099 0.0312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0076 0.0099 0.0065
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Echinococcus granulosus mothers against decapentaplegic 6 0.0072 0.0084 0.0265
Brugia malayi Isocitrate dehydrogenase 0.0499 0.1924 0.1896
Brugia malayi latrophilin 2 splice variant baaae 0.1496 0.6226 0.6213
Echinococcus multilocularis Smad4 0.0162 0.047 0.1473
Loa Loa (eye worm) latrophilin receptor protein 2 0.0693 0.276 0.2735
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0076 0.0099 0.0105
Loa Loa (eye worm) steroid hormone receptor 0.0076 0.0099 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0099 0.0065
Schistosoma mansoni hypothetical protein 0.0693 0.276 0.4402
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0076 0.0099 0.0065
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.0119 0.0374
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0076 0.0102 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0076 0.0099 0.0065
Echinococcus multilocularis thyroid hormone receptor alpha 0.0076 0.0099 0.0312
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0499 0.1924 1
Schistosoma mansoni smad1 5 8 and 0.0162 0.047 0.0703
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0499 0.1924 1
Loa Loa (eye worm) hypothetical protein 0.022 0.0723 0.0691
Plasmodium falciparum ataxin-2 like protein, putative 0.022 0.0723 0.3343
Entamoeba histolytica tartrate dehydrogenase, putative 0.0061 0.0034 0.5
Schistosoma mansoni tar DNA-binding protein 0.0792 0.3189 0.5095
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0565 0.2212 0.6936
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0076 0.0099 0.0065
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0076 0.0099 0.0065
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0074 0.0092 0.0287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0693 0.276 0.8654
Echinococcus granulosus tar DNA binding protein 0.0792 0.3189 1
Brugia malayi Latrophilin receptor protein 2 0.0693 0.276 0.2735
Brugia malayi Calcitonin receptor-like protein seb-1 0.2189 0.9212 0.921
Loa Loa (eye worm) hypothetical protein 0.0072 0.0084 0.005
Echinococcus multilocularis conserved hypothetical protein 0.0057 0.0017 0.0054
Loa Loa (eye worm) hypothetical protein 0.0089 0.0158 0.0125
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0076 0.0099 0.0105
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0076 0.0099 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0076 0.0099 0.0065
Brugia malayi Tyrosine-protein kinase abl-1 0.0419 0.1579 0.155
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.0099 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0076 0.0099 0.0065
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2189 0.9212 0.921
Echinococcus multilocularis tyrosine protein kinase Abl 0.0282 0.0987 0.3097
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0499 0.1924 0.3052
Brugia malayi hypothetical protein 0.0142 0.0386 0.0353
Brugia malayi MH2 domain containing protein 0.0162 0.047 0.0437
Schistosoma mansoni nuclear hormone receptor 0.0076 0.0099 0.0105
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0076 0.0099 0.0105
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0076 0.0099 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0792 0.3189 0.5095
Echinococcus granulosus FTZ F1 alpha 0.0076 0.0099 0.0312
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0565 0.2212 0.6936
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0076 0.0099 0.0312
Onchocerca volvulus 0.0076 0.0099 0.0218
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0162 0.047 0.0703
Onchocerca volvulus 0.0233 0.0777 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2189 0.9212 0.921
Schistosoma mansoni Smad4 0.0072 0.0084 0.0081
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0499 0.1924 0.6034
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0499 0.1924 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0061 0.0034 0.0107
Schistosoma mansoni retinoic acid receptor RXR 0.0076 0.0099 0.0105
Schistosoma mansoni tar DNA-binding protein 0.0792 0.3189 0.5095
Echinococcus granulosus Glycosyl transferase family 8 0.0076 0.0102 0.032
Plasmodium falciparum ataxin-2 like protein, putative 0.022 0.0723 0.3343
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0099 0.0199 0.0624
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0099 0.0065
Brugia malayi RNA recognition motif domain containing protein 0.0792 0.3189 0.3165
Schistosoma mansoni hypothetical protein 0.0693 0.276 0.4402
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0693 0.276 0.8654
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0076 0.0099 0.0065
Echinococcus multilocularis GPCR, family 2 0.0693 0.276 0.8654
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0074 0.0092 0.0287
Echinococcus granulosus GPCR family 2 0.0693 0.276 0.8654
Echinococcus granulosus ecdysone induced protein 78C 0.0076 0.0099 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0076 0.0099 0.0065
Brugia malayi Glycosyl transferase family 8 protein 0.0076 0.0102 0.0068
Schistosoma mansoni thyroid hormone receptor 0.0076 0.0099 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0076 0.0099 0.0065
Schistosoma mansoni smad1 5 8 and 0.0162 0.047 0.0703
Brugia malayi MH1 domain containing protein 0.0089 0.0158 0.0125
Echinococcus multilocularis smad 0.0162 0.047 0.1473
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0061 0.0034 0.0107
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0792 0.3189 0.3165
Brugia malayi nuclear receptor NHR-88 0.0076 0.0099 0.0065
Loa Loa (eye worm) nuclear factor I 0.0089 0.0158 0.0125
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.0119 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0691 0.2752 0.2727
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0076 0.0099 0.0065
Schistosoma mansoni coup transcription factor 0.0076 0.0099 0.0105
Schistosoma mansoni hypothetical protein 0.0693 0.276 0.4402
Onchocerca volvulus Protein ultraspiracle homolog 0.0076 0.0099 0.0218
Schistosoma mansoni tar DNA-binding protein 0.0792 0.3189 0.5095
Echinococcus granulosus tyrosine protein kinase ABL1 0.0691 0.2752 0.8631
Loa Loa (eye worm) MH2 domain-containing protein 0.2371 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.0119 0.0137
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.0119 0.0374
Echinococcus multilocularis mothers against decapentaplegic 2 0.0072 0.0084 0.0265
Echinococcus multilocularis FTZ F1 alpha 0.0076 0.0099 0.0312
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0119 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0076 0.0099 0.0312
Schistosoma mansoni hypothetical protein 0.0099 0.0199 0.0266
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0499 0.1924 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Loa Loa (eye worm) hypothetical protein 0.008 0.0119 0.0085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0076 0.0099 0.0065
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0693 0.276 0.8654
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0119 0.5
Brugia malayi ecdysteroid receptor 0.0076 0.0099 0.0065
Brugia malayi Smad1 0.0162 0.047 0.0437
Brugia malayi nuclear hormone receptor 0.0076 0.0099 0.0065
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0693 0.276 0.8654
Echinococcus granulosus TGF beta signal transducer SmadC 0.0162 0.047 0.1473
Loa Loa (eye worm) hypothetical protein 0.0262 0.0903 0.0872
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0499 0.1924 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0072 0.0084 0.005
Loa Loa (eye worm) pax transcription factor protein 2 0.0233 0.0777 0.0745
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0499 0.1924 0.6034
Loa Loa (eye worm) hypothetical protein 0.0076 0.0099 0.0065
Onchocerca volvulus Bile acid receptor homolog 0.0076 0.0099 0.0218
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0076 0.0099 0.0218
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0074 0.0092 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0076 0.0099 0.0065
Schistosoma mansoni RAR-like nuclear receptor 0.0076 0.0099 0.0105
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0119 0.5
Brugia malayi MH1 domain containing protein 0.0089 0.0158 0.0125

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 11 nM Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
IC50 (functional) = 11 nM Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
IC50 (functional) = 30.8 nM Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
IC50 (functional) = 30.8 nM Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
pA2 (functional) Inhibitory potency at native endothelin A and endothelin B receptors by inhibiting endothelin-1 contractions of rat aortic rings ChEMBL. 15139756
pA2 (functional) 0 Inhibitory potency at native endothelin A and endothelin B receptors by inhibiting endothelin-1 contractions of rat aortic rings ChEMBL. 15139756

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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