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Ligand

NameCHEMBL1822447
Molecular formulaC26H34N6O2
IUPAC nameN-[[1-(propan-2-ylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
Molecular weight462.598
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50352272
Inchi KeyAMHUWKSEZZAQOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N6O2/c1-18(2)30-26(13-5-6-14-26)17-27-25(33)32-15-11-20(12-16-32)24-29-23(31-34-24)22-10-9-19-7-3-4-8-21(19)28-22/h3-4,7-10,18,20,30H,5-6,11-17H2,1-2H3,(H,27,33)
PubChem CID56681961
ChEMBLCHEMBL1822447
IUPHARN/A
BindingDB50352272
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8898Smoothened homologQ99835SMOHomo sapiens (Human)787

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