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Ligand

NameCHEMBL102825
Molecular formulaC23H19NO5
IUPAC name(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Molecular weight389.407
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50119672
(5S,7R)-5-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Inchi KeyAIJJGHXRGHAKEG-PCCBWWKXSA-N
Inchi IDInChI=1S/C23H19NO5/c1-27-15-7-4-13(5-8-15)20-21(23(25)26)19(16-3-2-10-24-22(16)20)14-6-9-17-18(11-14)29-12-28-17/h2-11,19-21H,12H2,1H3,(H,25,26)/t19-,20-,21+/m0/s1
PubChem CID9821701
ChEMBLCHEMBL102825
IUPHARN/A
BindingDB50119672
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
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GLASS IDNameUniProtGeneSpeciesLength
6281Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
6282Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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