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Ligand

NameCHEMBL3416882
Molecular formulaC26H28ClN3O2
IUPAC name[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Molecular weight449.979
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50077222
SCHEMBL4361089
Inchi KeyWWLHNRQKBBNGPW-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H28ClN3O2/c27-19-7-8-21-22(16-30(24(21)14-19)15-20-5-3-11-28-20)25(31)29-12-9-26(10-13-29)23-6-2-1-4-18(23)17-32-26/h1-2,4,6-8,14,16,20,28H,3,5,9-13,15,17H2/t20-/m0/s1
PubChem CID57978135
ChEMBLCHEMBL3416882
IUPHARN/A
BindingDB50077222
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
456933Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
456934Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423

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