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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

NameCHEMBL2314290
Molecular formulaC22H17ClN2O3
IUPAC name5-chloro-4-[4-(hydroxymethyl)phenoxy]-2-(naphthalen-1-ylmethyl)pyridazin-3-one
Molecular weight392.839
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50425611
SR-02000001094
SR-02000001094-1
Inchi KeyAVMGWMFSIPBMIB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17ClN2O3/c23-20-12-24-25(13-17-6-3-5-16-4-1-2-7-19(16)17)22(27)21(20)28-18-10-8-15(14-26)9-11-18/h1-12,26H,13-14H2
PubChem CID50904442
ChEMBLCHEMBL2314290
IUPHARN/A
BindingDB50425611
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
15404Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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