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Ligand

NameCHEMBL3936958
Molecular formulaC20H22F3N3O3S
IUPAC name5-cyclopropyl-6-(2-methylpropylsulfonyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide
Molecular weight441.469
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL14226441
ABNXKNCXFQSSMP-KRWDZBQOSA-N
BDBM210723
US9290451, 365
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-3-yl-ethyl)-amide
Inchi KeyABNXKNCXFQSSMP-KRWDZBQOSA-N
Inchi IDInChI=1S/C20H22F3N3O3S/c1-12(2)11-30(28,29)19-15(13-5-6-13)7-8-16(25-19)18(27)26-17(20(21,22)23)14-4-3-9-24-10-14/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3,(H,26,27)/t17-/m0/s1
PubChem CID71105750
ChEMBLCHEMBL3936958
IUPHARN/A
BindingDB210723
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
535937Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
535936Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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