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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL2058594
Molecular formulaC22H24FN3O2
IUPAC name4-[(1R)-1-cyclopropylpropyl]-8-(5-fluoro-4-methoxy-2-methylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
Molecular weight381.451
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL6083125
BDBM50387640
Inchi KeyAVTCHXMKHPBICP-GOSISDBHSA-N
Inchi IDInChI=1S/C22H24FN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-11-17(23)19(28-4)10-12(16)2/h8-11,14,18H,5-7H2,1-4H3/t18-/m1/s1
PubChem CID10429933
ChEMBLCHEMBL2058594
IUPHARN/A
BindingDB50387640
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
15613Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

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