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Ligand

NameCHEMBL421365
Molecular formulaC23H22O4S
IUPAC name4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid
Molecular weight394.485
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsSCHEMBL7908362
BDBM50065514
gamma-[3-(3-Thienylmethoxy)benzoyl]-2-methylbenzenebutyric acid
5-Oxo-5-[3-(thiophen-3-ylmethoxy)-phenyl]-4-o-tolyl-pentanoic acid
Inchi KeyDHSRZCIYOWGXNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22O4S/c1-16-5-2-3-8-20(16)21(9-10-22(24)25)23(26)18-6-4-7-19(13-18)27-14-17-11-12-28-15-17/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,24,25)
PubChem CID15304942
ChEMBLCHEMBL421365
IUPHARN/A
BindingDB50065514
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
60308Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
60307Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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