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Ligand

NameCHEMBL3416883
Molecular formulaC27H30ClN3O2
IUPAC name[6-chloro-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Molecular weight464.006
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50077221
SCHEMBL4357753
Inchi KeyFLMPFQAMYYSHQA-NRFANRHFSA-N
Inchi IDInChI=1S/C27H30ClN3O2/c1-29-12-4-6-21(29)16-31-17-23(22-9-8-20(28)15-25(22)31)26(32)30-13-10-27(11-14-30)24-7-3-2-5-19(24)18-33-27/h2-3,5,7-9,15,17,21H,4,6,10-14,16,18H2,1H3/t21-/m0/s1
PubChem CID11993729
ChEMBLCHEMBL3416883
IUPHARN/A
BindingDB50077221
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
444945Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423
444946Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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