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Ligand

NameCHEMBL3659198
Molecular formulaC23H21F2N3O2S
IUPAC name[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
Molecular weight441.497
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM163898
SCHEMBL16041524
US9062078, 29
Inchi KeyAKGIMZNLGCHCNE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3
PubChem CID90412899
ChEMBLCHEMBL3659198
IUPHARN/A
BindingDB163898
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
463808Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
463807Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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