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Ligand

NameCHEMBL3416884
Molecular formulaC27H30ClN3O2
IUPAC name[6-chloro-1-(1-methylpiperidin-4-yl)indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Molecular weight464.006
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50077219
Inchi KeyXGRPTTMNFURMQP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30ClN3O2/c1-29-12-8-21(9-13-29)31-17-23(22-7-6-20(28)16-25(22)31)26(32)30-14-10-27(11-15-30)24-5-3-2-4-19(24)18-33-27/h2-7,16-17,21H,8-15,18H2,1H3
PubChem CID118734429
ChEMBLCHEMBL3416884
IUPHARN/A
BindingDB50077219
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
457238Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423
457239Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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