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Ligand

NameCHEMBL3416877
Molecular formulaC21H18ClN3O3
IUPAC name1'-(6-chloro-1H-indole-3-carbonyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Molecular weight395.843
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50077455
1'-[(6-chloro-1H-indol-3-yl)carbonyl]spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
BPVSBZYRICTGIY-UHFFFAOYSA-N
SCHEMBL4759170
Inchi KeyBPVSBZYRICTGIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18ClN3O3/c22-13-5-6-14-15(12-23-18(14)11-13)19(26)25-9-7-21(8-10-25)16-3-1-2-4-17(16)24-20(27)28-21/h1-6,11-12,23H,7-10H2,(H,24,27)
PubChem CID17757748
ChEMBLCHEMBL3416877
IUPHARN/A
BindingDB50077455
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
442833Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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