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Ligand

NameCHEMBL469146
Molecular formulaC23H23N7O
IUPAC name[5-methyl-2-(triazol-2-yl)phenyl]-(4-quinazolin-2-yl-1,4-diazepan-1-yl)methanone
Molecular weight413.485
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
Synonyms(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)(4-(quinazolin-2-yl)-1,4-diazepan-1-yl)methanone
BDBM50258741
SCHEMBL4328813
Inchi KeyAHMDYOOHWSZVAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N7O/c1-17-7-8-21(30-25-9-10-26-30)19(15-17)22(31)28-11-4-12-29(14-13-28)23-24-16-18-5-2-3-6-20(18)27-23/h2-3,5-10,15-16H,4,11-14H2,1H3
PubChem CID24882716
ChEMBLCHEMBL469146
IUPHARN/A
BindingDB50258741
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
5692Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
5691Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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