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Ligand

NameCHEMBL3416876
Molecular formulaC21H19ClN2O3S
IUPAC name(6-chloro-1H-indol-3-yl)-(2,2-dioxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)methanone
Molecular weight414.904
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50077228
Inchi KeyJAIAOPCFCPAFFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19ClN2O3S/c22-15-5-6-16-17(12-23-19(16)11-15)20(25)24-9-7-21(8-10-24)18-4-2-1-3-14(18)13-28(21,26)27/h1-6,11-12,23H,7-10,13H2
PubChem CID118734428
ChEMBLCHEMBL3416876
IUPHARN/A
BindingDB50077228
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
447449Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
447450Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423

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