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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

NameSCHEMBL15579032
Molecular formulaC20H20FN5O2
IUPAC name5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
Molecular weight381.411
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.1
SynonymsBDBM256401
US9487501, 2
Inchi KeyBHEYHAQKDMNMBT-GOSISDBHSA-N
Inchi IDInChI=1S/C20H20FN5O2/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18/h1-8,11,18,23H,9-10,12,22H2,(H,25,27)/t18-/m1/s1
PubChem CID73442097
ChEMBLN/A
IUPHARN/A
BindingDB256401
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
558004Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
558005Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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