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Ligand

NameCHEMBL3416881
Molecular formulaC25H26ClN3O3
IUPAC name2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide
Molecular weight451.951
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50077223
SCHEMBL4357766
SCHEMBL4357768
Inchi KeyCBGJLAOTFNDRDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26ClN3O3/c1-27(2)23(30)15-29-14-20(19-8-7-18(26)13-22(19)29)24(31)28-11-9-25(10-12-28)21-6-4-3-5-17(21)16-32-25/h3-8,13-14H,9-12,15-16H2,1-2H3
PubChem CID59657523
ChEMBLCHEMBL3416881
IUPHARN/A
BindingDB50077223
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
443184Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
443185Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423

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