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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 CASP14

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Ligand

NameCHEMBL2314322
Molecular formulaC22H16ClFN2O3
IUPAC name5-chloro-2-[(4-fluoronaphthalen-1-yl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
Molecular weight410.829
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50425585
SR-02000001087
SR-02000001087-1
Inchi KeyBHDRWJOOYIXFSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16ClFN2O3/c1-28-15-7-9-16(10-8-15)29-21-19(23)12-25-26(22(21)27)13-14-6-11-20(24)18-5-3-2-4-17(14)18/h2-12H,13H2,1H3
PubChem CID50904481
ChEMBLCHEMBL2314322
IUPHARN/A
BindingDB50425585
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
23663Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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