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Ligand

NameSCHEMBL1991414
Molecular formulaC18H21N3OS
IUPAC name6-methylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]pyridine-3-carboxamide
Molecular weight327.446
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM250334
ZINC117723769
US9452980, 244
3-Pyridinecarboxamide, 6-(methylthio)-N-[4-(3S)-3-piperidinylphenyl]-
1312570-29-8
Inchi KeyAKFINJOPCYZMGH-CQSZACIVSA-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-/m1/s1
PubChem CID67239705
ChEMBLN/A
IUPHARN/A
BindingDB250334
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
557502Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
557503Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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