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Ligand

NameCHEMBL3416872
Molecular formulaC20H18ClN3O2
IUPAC name(6-chloro-1H-indol-3-yl)-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone
Molecular weight367.833
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50077249
SCHEMBL2512006
Inchi KeyIPIIGNYKOUWWDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18ClN3O2/c21-13-3-4-14-15(11-23-17(14)10-13)19(25)24-8-5-20(6-9-24)16-2-1-7-22-18(16)12-26-20/h1-4,7,10-11,23H,5-6,8-9,12H2
PubChem CID25001616
ChEMBLCHEMBL3416872
IUPHARN/A
BindingDB50077249
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
447149Vasopressin V1a receptorQ62463Avpr1aMus musculus (Mouse)423
447150Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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