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Ligand

NameIPSU
Molecular formulaC23H27N5O2
IUPAC name2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Molecular weight405.502
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsAKOS027470240
MolPort-039-338-071
2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)-
CHEMBL2435402
ZINC96285053
[ Show all ]
Inchi KeyPCMHOSYCWRRHTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
PubChem CID56970858
ChEMBLCHEMBL2435402
IUPHARN/A
BindingDB50441375
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
256423Orexin receptor type 1P58307Hcrtr1Mus musculus (Mouse)416
256426Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
256424Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
256425Orexin receptor type 2P58308Hcrtr2Mus musculus (Mouse)460

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