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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

NameSCHEMBL2696892
Molecular formulaC16H18ClN5O
IUPAC name(4S)-4-[2-[4-[(5-chloropyrimidin-2-yl)amino]-3-methylphenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight331.804
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsCHEMBL3660707
BDBM119204
US8673950, 72
Inchi KeyBLWFKWFYYIUJDX-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H18ClN5O/c1-10-6-11(2-4-13-9-23-15(18)21-13)3-5-14(10)22-16-19-7-12(17)8-20-16/h3,5-8,13H,2,4,9H2,1H3,(H2,18,21)(H,19,20,22)/t13-/m0/s1
PubChem CID56967853
ChEMBLCHEMBL3660707
IUPHARN/A
BindingDB119204
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
27036Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
27037Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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