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Ligand

NameCHEMBL3416869
Molecular formulaC27H31ClN4O3
IUPAC name2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
Molecular weight495.02
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsSCHEMBL4357346
BDBM50077310
SCHEMBL4357344
Inchi KeyPBKAJAPAHGAIKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33)
PubChem CID59657559
ChEMBLCHEMBL3416869
IUPHARN/A
BindingDB50077310
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
451746Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
451747Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423

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