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Ligand

NameCHEMBL3702012
Molecular formulaC17H22N4O
IUPAC name5-ethoxy-N-[4-[(3S)-piperidin-3-yl]phenyl]pyrimidin-2-amine
Molecular weight298.39
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM129472
SCHEMBL12610351
US8802673, 114
Inchi KeyCSVGASRBSIUPPY-CQSZACIVSA-N
Inchi IDInChI=1S/C17H22N4O/c1-2-22-16-11-19-17(20-12-16)21-15-7-5-13(6-8-15)14-4-3-9-18-10-14/h5-8,11-12,14,18H,2-4,9-10H2,1H3,(H,19,20,21)/t14-/m1/s1
PubChem CID68325869
ChEMBLCHEMBL3702012
IUPHARN/A
BindingDB129472
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
49774Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
49775Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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