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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameSCHEMBL3606527
Molecular formulaC9H8BrFN2O
IUPAC name(4S)-4-(4-bromo-3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight259.078
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.7
SynonymsCHEMBL3684887
BDBM109542
US8604061, 321
Inchi KeyBBRJXTPCJDPJHK-MRVPVSSYSA-N
Inchi IDInChI=1S/C9H8BrFN2O/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)/t8-/m1/s1
PubChem CID59323862
ChEMBLCHEMBL3684887
IUPHARN/A
BindingDB109542
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
19777Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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