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Ligand

NameCHEMBL1338308
Molecular formulaC22H20FN5OS
IUPAC name2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-[(3-fluorophenyl)methyl]acetamide
Molecular weight421.494
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsHMS1874C21
2-[(3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl)thio]-N-(3-fluorobenzyl)acetamide
NCGC00126207-01
MCULE-6891349247
AKOS001964914
[ Show all ]
Inchi KeyADSMEZQTRSXKTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20FN5OS/c1-14-20-15(2)28(18-9-4-3-5-10-18)27-21(20)22(26-25-14)30-13-19(29)24-12-16-7-6-8-17(23)11-16/h3-11H,12-13H2,1-2H3,(H,24,29)
PubChem CID16023198
ChEMBLCHEMBL1338308
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3035Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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