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Ligand

NameCHEMBL466425
Molecular formulaC26H28F3N5O2
IUPAC name2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide
Molecular weight499.538
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.8
Synonyms2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4''-piperidine]-1''-yl)propyl)-N-methyl-2-(1H-pyrazol-1-yl)acetamide
(+/-)-2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4''-piperidine]-1''-yl)propyl)-N-methyl-2-(1H-pyrazol-1-yl)acetamide
BDBM50258450
SCHEMBL13315579
Inchi KeyAIRCJEQVEFTOIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
PubChem CID10345845
ChEMBLCHEMBL466425
IUPHARN/A
BindingDB50258450
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6470Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
6471Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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