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Ligand

NameCHEMBL102969
Molecular formulaC27H27NO5
IUPAC name(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Molecular weight445.515
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50119671
5-Benzo[1,3]dioxol-5-yl-2-butyl-7-(4-methoxy-phenyl)-6,7-dihydro-5H-[1]pyrindine-6-carboxylic acid
Inchi KeyAQEWYBHXBBBFNY-CCDWMCETSA-N
Inchi IDInChI=1S/C27H27NO5/c1-3-4-5-18-9-12-20-23(17-8-13-21-22(14-17)33-15-32-21)25(27(29)30)24(26(20)28-18)16-6-10-19(31-2)11-7-16/h6-14,23-25H,3-5,15H2,1-2H3,(H,29,30)/t23-,24-,25+/m0/s1
PubChem CID10321290
ChEMBLCHEMBL102969
IUPHARN/A
BindingDB50119671
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11625Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
11624Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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