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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

NameCHEMBL3262647
Molecular formulaC23H24ClN5O2
IUPAC namecyclopropylmethyl 7-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
Molecular weight437.928
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50013266
SCHEMBL17466624
Inchi KeyCDKXZKQXPFEOGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN5O2/c1-14-7-15(2)22(26-9-14)17-8-20(25-10-18(17)24)29-6-5-28-11-19(27-21(28)12-29)23(30)31-13-16-3-4-16/h7-11,16H,3-6,12-13H2,1-2H3
PubChem CID90656303
ChEMBLCHEMBL3262647
IUPHARN/A
BindingDB50013266
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
39375Smoothened homologQ99835SMOHomo sapiens (Human)787

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