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Ligand

NameCHEMBL111258
Molecular formulaC27H33N3O3
IUPAC nameN-[3-(azepan-1-yl)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
Molecular weight447.579
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.8
SynonymsBDBM50109063
(3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-(3-p-tolyl-isoxazol-5-yl)-amine
N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1,3-benzodioxole-5-ylmethyl)-3-(4-methylphenyl)isoxazole-5-amine
Inchi KeyCDYMXRUWHVBUKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N3O3/c1-21-7-10-23(11-8-21)24-18-27(33-28-24)30(16-6-15-29-13-4-2-3-5-14-29)19-22-9-12-25-26(17-22)32-20-31-25/h7-12,17-18H,2-6,13-16,19-20H2,1H3
PubChem CID44339002
ChEMBLCHEMBL111258
IUPHARN/A
BindingDB50109063
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
39685Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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