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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

NameSCHEMBL6919602
Molecular formulaC18H19F2N3O
IUPAC name3,5-difluoro-N-[4-(2-pyrrolidin-3-ylethyl)phenyl]pyridine-2-carboxamide
Molecular weight331.367
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM250223
CHEMBL3907834
US9452980, 133
Inchi KeyAPWHZOSSXYMDSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19F2N3O/c19-14-9-16(20)17(22-11-14)18(24)23-15-5-3-12(4-6-15)1-2-13-7-8-21-10-13/h3-6,9,11,13,21H,1-2,7-8,10H2,(H,23,24)
PubChem CID67241233
ChEMBLCHEMBL3907834
IUPHARN/A
BindingDB250223
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
536286Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
536287Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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