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Ligand

NameCHEMBL3939787
Molecular formulaC18H21N3OS
IUPAC name6-methylsulfanyl-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-3-carboxamide
Molecular weight327.446
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsN/A
Inchi KeyAKFINJOPCYZMGH-AWEZNQCLSA-N
Inchi IDInChI=1S/C18H21N3OS/c1-23-17-9-6-15(12-20-17)18(22)21-16-7-4-13(5-8-16)14-3-2-10-19-11-14/h4-9,12,14,19H,2-3,10-11H2,1H3,(H,21,22)/t14-/m0/s1
PubChem CID134149626
ChEMBLCHEMBL3939787
IUPHARN/A
BindingDBN/A
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
547976Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
547977Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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