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Ligand

NameCHEMBL94141
Molecular formulaC23H21NO4S
IUPAC name(4S)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid
Molecular weight407.484
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
Synonyms(S)-4-[2-Cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid
BDBM50065511
SCHEMBL7900895
(S)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
Inchi KeyARDXPWJWTGZJGO-NRFANRHFSA-N
Inchi IDInChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m0/s1
PubChem CID10669120
ChEMBLCHEMBL94141
IUPHARN/A
BindingDB50065511
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12360Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
12359Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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