Detailed information for compound 54047

Basic information

Technical information
  • TDR Targets ID: 54047
  • Name: butyl N-[3-[4-[[6-[acetyl(benzyl)amino]-4-oxo -2-propylquinazolin-3-yl]methyl]phenyl]-5-(2- methylpropyl)thiophen-2-yl]sulfonylcarbamate
  • MW: 742.946 | Formula: C40H46N4O6S2
  • H donors: 1 H acceptors: 5 LogP: 7.72 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)c1cc(sc1S(=O)(=O)NC(=O)OCCCC)CC(C)C)N(C(=O)C)Cc1ccccc1
  • InChi: 1S/C40H46N4O6S2/c1-6-8-21-50-40(47)42-52(48,49)39-34(24-33(51-39)22-27(3)4)31-17-15-30(16-18-31)26-44-37(12-7-2)41-36-20-19-32(23-35(36)38(44)46)43(28(5)45)25-29-13-10-9-11-14-29/h9-11,13-20,23-24,27H,6-8,12,21-22,25-26H2,1-5H3,(H,42,47)
  • InChiKey: IZEAVCQFOKRGSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • butyl N-[[3-[4-[[6-[acetyl(benzyl)amino]-4-oxo-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamate
  • N-[[3-[4-[[6-[acetyl(benzyl)amino]-4-oxo-2-propyl-3-quinazolinyl]methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester
  • butyl N-[3-[4-[[6-[ethanoyl(phenylmethyl)amino]-4-oxo-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
  • N-[[3-[4-[[6-[acetyl(benzyl)amino]-4-keto-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester
  • butyl N-[3-[4-[[6-(acetyl-(phenylmethyl)amino)-4-oxo-2-propylquinazolin-3-yl]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
  • butyl N-[[3-[4-[[6-(acetyl-(phenylmethyl)amino)-4-oxo-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamate
  • N-[[3-[4-[[6-(acetyl-(phenylmethyl)amino)-4-oxo-2-propyl-3-quinazolinyl]methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester
  • N-[[3-[4-[[6-(acetyl-(benzyl)amino)-4-keto-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester
  • butyl N-[3-[4-[[6-(ethanoyl-(phenylmethyl)amino)-4-oxo-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Angiotensin II receptor (AT-1) type-1 Starlite/ChEMBL References
Homo sapiens angiotensin II receptor, type 2 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus neuropeptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 317 aa 24.6 %
Brugia malayi GnHR receptor homolog Angiotensin II receptor (AT-1) type-1   359 aa 357 aa 20.4 %
Echinococcus granulosus growth hormone secretagogue receptor type 1 Angiotensin II receptor (AT-1) type-1   359 aa 343 aa 23.0 %
Loa Loa (eye worm) neuropeptide F receptor Angiotensin II receptor (AT-1) type-1   359 aa 344 aa 23.5 %
Loa Loa (eye worm) hypothetical protein Angiotensin II receptor (AT-1) type-1   359 aa 329 aa 24.0 %
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Angiotensin II receptor (AT-1) type-1   359 aa 300 aa 21.0 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Angiotensin II receptor (AT-1) type-1   359 aa 363 aa 23.4 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 292 aa 24.7 %
Brugia malayi ORL1-like opioid receptor Angiotensin II receptor (AT-1) type-1   359 aa 314 aa 20.4 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 309 aa 18.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Angiotensin II receptor (AT-1) type-1   359 aa 307 aa 24.1 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor angiotensin II receptor, type 2 363 aa 398 aa 18.3 %
Echinococcus granulosus thyrotropin releasing hormone receptor Angiotensin II receptor (AT-1) type-1   359 aa 363 aa 23.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Angiotensin II receptor (AT-1) type-1   359 aa 323 aa 25.7 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 314 aa 25.2 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 366 aa 19.7 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Angiotensin II receptor (AT-1) type-1   359 aa 346 aa 18.2 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Angiotensin II receptor (AT-1) type-1   359 aa 350 aa 23.1 %
Schistosoma mansoni opsin-like receptor Angiotensin II receptor (AT-1) type-1   359 aa 299 aa 25.8 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 350 aa 24.0 %
Echinococcus multilocularis G-protein coupled receptor, putative Angiotensin II receptor (AT-1) type-1   359 aa 307 aa 22.1 %
Loa Loa (eye worm) hypothetical protein Angiotensin II receptor (AT-1) type-1   359 aa 308 aa 27.6 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 355 aa 23.9 %
Echinococcus granulosus tm gpcr rhodopsin Angiotensin II receptor (AT-1) type-1   359 aa 300 aa 21.0 %
Echinococcus multilocularis neuropeptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 317 aa 24.9 %
Brugia malayi putative neuropeptide receptor NPR1 Angiotensin II receptor (AT-1) type-1   359 aa 295 aa 27.1 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 305 aa 24.9 %
Echinococcus granulosus allatostatin A receptor Angiotensin II receptor (AT-1) type-1   359 aa 342 aa 27.2 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 386 aa 24.4 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Angiotensin II receptor (AT-1) type-1   359 aa 325 aa 20.9 %
Echinococcus multilocularis allatostatin A receptor Angiotensin II receptor (AT-1) type-1   359 aa 342 aa 26.6 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 365 aa 20.0 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Angiotensin II receptor (AT-1) type-1   359 aa 354 aa 20.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0106 0.0167
Echinococcus granulosus NDR protein kinase 0.0103 0.2966 0.4521
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0106 0.0105
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1751 0.1751
Echinococcus multilocularis rac serine:threonine kinase 0.0209 0.656 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0106 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.1751 0.267
Echinococcus granulosus Glutaredoxin protein 5 0.0198 0.6194 0.9442
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0191 0.5971 0.5928
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0103 0.2966 0.4521
Schistosoma mansoni serine/threonine kinase 0.0103 0.2966 0.4521
Loa Loa (eye worm) hypothetical protein 0.0035 0.0638 0.0638
Echinococcus multilocularis serine threonine protein kinase 0.0103 0.2966 0.4521
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.031 1 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0103 0.2966 0.2966
Toxoplasma gondii exonuclease III APE 0.0019 0.0106 0.0108
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0191 0.5971 0.5928
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0106 0.016
Leishmania major hypothetical protein, conserved 0.0026 0.0329 0.1873
Entamoeba histolytica protein kinase 2, putative 0.02 0.627 0.623
Loa Loa (eye worm) AGC/NDR protein kinase 0.0103 0.2966 0.2966
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0191 0.5971 0.5928
Loa Loa (eye worm) hypothetical protein 0.0026 0.0329 0.0329
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0329 0.0328
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.146 0.1369
Echinococcus granulosus nervana 2 0.0198 0.6194 0.9442
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0329 0.0523
Echinococcus multilocularis protein kinase c iota type 0.0103 0.2966 0.4521
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0782 0.1192
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0103 0.2966 0.2966
Echinococcus granulosus protein kinase C gamma type 0.0103 0.2966 0.4521
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0103 0.2966 0.4521
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0103 0.2966 0.2966
Brugia malayi p70 ribosomal S6 kinase beta 0.0301 0.971 0.971
Brugia malayi Protein kinase domain containing protein 0.0103 0.2966 0.2966
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.146 0.2225
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.1751 0.1751
Echinococcus multilocularis serine:threonine protein kinase N2 0.0103 0.2966 0.4521
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0329 0.05
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0191 0.5971 0.5971
Brugia malayi isocitrate dehydrogenase 0.0016 0.0001 0.0001
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.1751 1
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.146 0.2225
Loa Loa (eye worm) hypothetical protein 0.0103 0.2966 0.2966
Echinococcus granulosus serine threonine protein kinase nrc 0.02 0.627 0.9557
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0301 0.971 0.971
Loa Loa (eye worm) AGC/AKT protein kinase 0.031 1 1
Echinococcus multilocularis nervana 2 0.0198 0.6194 0.9442
Brugia malayi Protein kinase domain containing protein 0.0103 0.2966 0.2966
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0059 0.146 0.1459
Echinococcus granulosus Protein kinase C brain isozyme 0.0103 0.2966 0.4521
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.146 0.1369
Echinococcus granulosus protein kinase c epsilon type 0.0103 0.2966 0.4521
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1188 0.1188
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0001 0.0001
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0106 0.5
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0198 0.6194 0.9442
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.02 0.627 0.9557
Echinococcus granulosus serine:threonine protein kinase N2 0.0103 0.2966 0.4521
Trichomonas vaginalis AGC family protein kinase 0.031 1 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0001 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0106 0.0161
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Trypanosoma cruzi rac serine-threonine kinase, putative 0.02 0.627 0.9557
Schistosoma mansoni ap endonuclease 0.0019 0.0106 0.0161
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0329 0.05
Giardia lamblia Kinase, AGC PKA 0.02 0.627 1
Brugia malayi Hr1 repeat family protein 0.0103 0.2966 0.2966
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0106 0.0106
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0106 0.0161
Entamoeba histolytica PH domain containing protein kinase, putative 0.0209 0.656 0.6523
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.1751 0.267
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0103 0.2966 0.2966
Schistosoma mansoni atypical protein kinase C 0.0103 0.2966 0.4521
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.031 1 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0103 0.2966 0.2966
Trichomonas vaginalis AGC family protein kinase 0.0103 0.2966 0.2891
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0001 0.0001
Toxoplasma gondii AGC kinase 0.0301 0.971 1
Echinococcus granulosus serine/threonine protein kinase 0.0209 0.656 1
Trichomonas vaginalis AGC family protein kinase 0.031 1 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.02 0.627 1
Trichomonas vaginalis AGC family protein kinase 0.031 1 1
Trypanosoma cruzi Protein kinase B 0.0209 0.656 1
Schistosoma mansoni hypothetical protein 0.0035 0.0638 0.0973
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0191 0.5971 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0329 0.0523
Echinococcus multilocularis serine:threonine protein kinase N2 0.0103 0.2966 0.4521
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0329 0.0338
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0191 0.5971 0.5928
Schistosoma mansoni serine/threonine-protein kinase 0.0209 0.656 1
Onchocerca volvulus 0.0191 0.5971 0.5
Brugia malayi protein kinase C II. 0.0103 0.2966 0.2966
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0191 0.5971 0.5928
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1751 0.2669
Loa Loa (eye worm) hypothetical protein 0.0051 0.1188 0.1188
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1188 0.1188
Entamoeba histolytica protein kinase, putative 0.0301 0.971 0.9707
Leishmania major hypothetical protein, conserved 0.0059 0.146 0.8337
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0106 0.0599
Entamoeba histolytica protein kinase, putative 0.0103 0.2966 0.2891
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0101 0.289 0.2814
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0191 0.5971 0.5928
Echinococcus multilocularis nervana 2 0.0198 0.6194 0.9442
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0106 0.0167
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0782 0.1192
Trypanosoma brucei rac serine-threonine kinase, putative 0.031 1 1
Trichomonas vaginalis AGC family protein kinase 0.0112 0.3256 0.3184
Trichomonas vaginalis AGC family protein kinase 0.031 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.1751 0.1751
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0198 0.6194 0.9442
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0209 0.656 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0106 0.0265
Brugia malayi hypothetical protein 0.0026 0.0329 0.0329
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0191 0.5971 0.5928
Schistosoma mansoni ap endonuclease 0.0019 0.0106 0.0161
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0103 0.2966 0.4521
Echinococcus multilocularis protein kinase c epsilon type 0.0103 0.2966 0.4521
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0191 0.5971 0.9515
Schistosoma mansoni serine/threonine-protein kinase 0.0209 0.656 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0132 0.3961 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.1751 0.267
Trichomonas vaginalis AGC family protein kinase 0.0103 0.2966 0.2891
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.02 0.627 1
Echinococcus granulosus nervana 2 0.0198 0.6194 0.9442
Entamoeba histolytica protein kinase, putative 0.031 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0106 0.016
Brugia malayi hypothetical protein 0.0017 0.0017 0.0017
Entamoeba histolytica protein kinase, putative 0.031 1 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0103 0.2966 0.4521
Echinococcus multilocularis Glutaredoxin protein 5 0.0198 0.6194 0.9442
Echinococcus granulosus protein kinase c iota type 0.0103 0.2966 0.4521
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1188 0.1188
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0191 0.5971 0.5971
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0329 0.0523
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0191 0.5971 0.5928
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0103 0.2966 0.4521
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0106 0.0106
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0103 0.2966 0.2891
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0103 0.2966 0.4521
Echinococcus multilocularis serine:threonine protein kinase 38 0.0103 0.2966 0.4521
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2966 0.4521
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.1751 0.2669
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.02 0.627 0.9557
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0638 0.0638
Entamoeba histolytica PH domain containing protein kinase, putative 0.0209 0.656 0.6523
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.1751 0.1663
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0103 0.2966 0.4521
Trichomonas vaginalis AGC family protein kinase 0.031 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 48 nM Binding affinity at Angiotensin II receptor, type 2 in pig uterus myometrial membranes by [125I]-Ang II displacement. ChEMBL. 14998339
Ki (binding) = 48 nM Binding affinity at Angiotensin II receptor, type 2 in pig uterus myometrial membranes by [125I]-Ang II displacement. ChEMBL. 14998339
Ki (binding) = 339 nM Binding affinity at Angiotensin II receptor, type 1 in rat liver membranes by [125I]-Ang II displacement. ChEMBL. 14998339
Ki (binding) = 339 nM Binding affinity at Angiotensin II receptor, type 1 in rat liver membranes by [125I]-Ang II displacement. ChEMBL. 14998339
Ratio (binding) = 7.1 Ratio of binding affinity at AT1 compared to AT2. ChEMBL. 14998339

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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