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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

NameCHEMBL2207522
Molecular formulaC18H12ClF3N2O3
IUPAC name5-chloro-4-(4-methoxyphenoxy)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
Molecular weight396.75
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50401586
SR-02000001113
SR-02000001113-1
Inchi KeyCVBXDQFVFYFZFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H12ClF3N2O3/c1-26-13-6-8-14(9-7-13)27-16-15(19)10-23-24(17(16)25)12-4-2-11(3-5-12)18(20,21)22/h2-10H,1H3
PubChem CID50904422
ChEMBLCHEMBL2207522
IUPHARN/A
BindingDB50401586
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
51354Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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