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Ligand

NameCHEMBL103001
Molecular formulaC24H21NO5
IUPAC name(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Molecular weight403.434
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50119669
5-Benzo[1,3]dioxol-5-yl-7-(4-methoxy-phenyl)-2-methyl-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid
Inchi KeyACMPQUAKYNONQE-FDFHNCONSA-N
Inchi IDInChI=1S/C24H21NO5/c1-13-3-9-17-20(15-6-10-18-19(11-15)30-12-29-18)22(24(26)27)21(23(17)25-13)14-4-7-16(28-2)8-5-14/h3-11,20-22H,12H2,1-2H3,(H,26,27)/t20-,21-,22+/m0/s1
PubChem CID44333867
ChEMBLCHEMBL103001
IUPHARN/A
BindingDB50119669
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
1702Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
1701Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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