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Ligand

NameCHEMBL326456
Molecular formulaC26H30ClN3O3
IUPAC nameN-[3-(azepan-1-yl)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1,2-oxazol-5-amine
Molecular weight467.994
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.0
SynonymsBDBM50109082
N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1,3-benzodioxole-5-ylmethyl)-3-(4-chlorophenyl)isoxazole-5-amine
(3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(4-chloro-phenyl)-isoxazol-5-yl]-amine
Inchi KeyBGBCDCFUTSISNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30ClN3O3/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 CID12018759
ChEMBLCHEMBL326456
IUPHARN/A
BindingDB50109082
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
22816Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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