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Ligand

NameCHEMBL3669566
Molecular formulaC27H28N4O
IUPAC name2-(1H-indol-3-ylmethyl)-9-isoquinolin-1-yl-2,9-diazaspiro[5.5]undecan-10-one
Molecular weight424.548
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL13448316
US8530648, 162
BDBM102291
Inchi KeyACNWTJLIAHFHEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N4O/c32-25-16-27(12-15-31(25)26-23-8-2-1-6-20(23)10-13-28-26)11-5-14-30(19-27)18-21-17-29-24-9-4-3-7-22(21)24/h1-4,6-10,13,17,29H,5,11-12,14-16,18-19H2
PubChem CID70905313
ChEMBLCHEMBL3669566
IUPHARN/A
BindingDB102291
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
1731Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
1732Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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