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Ligand

NameCHEMBL3663429
Molecular formulaC22H22FN5O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight407.449
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.8
SynonymsUS9062078, 125
BDBM163994
SCHEMBL16042175
Inchi KeyARROVLDPBPBLQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22FN5O2/c1-14-3-2-4-18(21(14)28-25-9-10-26-28)22(29)27-17-6-7-19(27)15(11-17)13-30-20-8-5-16(23)12-24-20/h2-5,8-10,12,15,17,19H,6-7,11,13H2,1H3
PubChem CID90413422
ChEMBLCHEMBL3663429
IUPHARN/A
BindingDB163994
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464410Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517385Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464409Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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