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Ligand

NameSCHEMBL16040151
Molecular formulaC23H19F4N5O
IUPAC name(3-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight457.433
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM65032
US9475819, 279
(3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-((5-(trifluoromethyl)pyridin-2-yl)amino)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
BDCUQVJRZGYIDS-OLMNPRSZSA-N
Inchi KeyBDCUQVJRZGYIDS-OLMNPRSZSA-N
Inchi IDInChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)/t14-,17-,18+/m1/s1
PubChem CID90411831
ChEMBLN/A
IUPHARN/A
BindingDB65032
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
557920Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
557921Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
557919Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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