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Ligand

NameOrexin receptor antagonist 34
Molecular formulaC23H20FN5O2
IUPAC name2-[(3R,6R)-1-(4-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight417.444
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.1
SynonymsCHEMBL3642147
US20130102619, 34
BDBM97402
SCHEMBL14877185
Inchi KeyDVQKBFBIBGIHAF-CRAIPNDOSA-N
Inchi IDInChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1
PubChem CID71526648
ChEMBLCHEMBL3642147
IUPHARN/A
BindingDB97402
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
70135Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
70136Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
70133Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460
70134Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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