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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

NameSCHEMBL15111506
Molecular formulaC18H17ClN4O
IUPAC name(2S)-2-[4-[3-(2-chloropyridin-4-yl)-1H-pyrazol-5-yl]phenyl]morpholine
Molecular weight340.811
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsN/A
Inchi KeyAZWGTCVGFJCKBW-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H17ClN4O/c19-18-9-14(5-6-21-18)16-10-15(22-23-16)12-1-3-13(4-2-12)17-11-20-7-8-24-17/h1-6,9-10,17,20H,7-8,11H2,(H,22,23)/t17-/m1/s1
PubChem CID71656717
ChEMBLN/A
IUPHARN/A
BindingDB190636
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
557829Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
557830Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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