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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

NameSCHEMBL15578761
Molecular formulaC21H22N6O2
IUPAC name1-(6-cyclopropylpyrimidin-4-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
Molecular weight390.447
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.9
SynonymsBDBM256455
US9487501, 56
Inchi KeyAVLAZSACGWVQTL-LJQANCHMSA-N
Inchi IDInChI=1S/C21H22N6O2/c28-21(26-17-5-3-15(4-6-17)19-11-22-7-8-29-19)16-10-25-27(12-16)20-9-18(14-1-2-14)23-13-24-20/h3-6,9-10,12-14,19,22H,1-2,7-8,11H2,(H,26,28)/t19-/m1/s1
PubChem CID73442505
ChEMBLN/A
IUPHARN/A
BindingDB256455
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
557704Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
557705Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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