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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

NameCHEMBL1939595
Molecular formulaC20H25N3O2
IUPAC name5-butan-2-yl-2-(4-methoxy-2-methylphenyl)-3,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-one
Molecular weight339.439
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50362271
SCHEMBL3152087
Inchi KeyADUCQYPMTFLOKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N3O2/c1-7-12(2)17-11-14(4)23-18(17)20(24)22(5)19(21-23)16-9-8-15(25-6)10-13(16)3/h8-12H,7H2,1-6H3
PubChem CID57400681
ChEMBLCHEMBL1939595
IUPHARN/A
BindingDB50362271
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
3088Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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