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Ligand

NameCHEMBL323054
Molecular formulaC26H30FN3O3
IUPAC nameN-[3-(azepan-1-yl)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
Molecular weight451.542
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.5
SynonymsBDBM50109066
(3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(4-fluoro-phenyl)-isoxazol-5-yl]-amine
N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1,3-benzodioxole-5-ylmethyl)-3-(4-fluorophenyl)isoxazole-5-amine
Inchi KeyBDAXZXFUBNVUET-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30FN3O3/c27-22-9-7-21(8-10-22)23-17-26(33-28-23)30(15-5-14-29-12-3-1-2-4-13-29)18-20-6-11-24-25(16-20)32-19-31-24/h6-11,16-17H,1-5,12-15,18-19H2
PubChem CID44339157
ChEMBLCHEMBL323054
IUPHARN/A
BindingDB50109066
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20747Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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