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Ligand

NameCHEMBL108604
Molecular formulaC29H33N3O
IUPAC nameN-[3-(azepan-1-yl)propyl]-N-(naphthalen-1-ylmethyl)-3-phenyl-1,2-oxazol-5-amine
Molecular weight439.603
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50109076
N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1-naphthylmethyl)-3-phenylisoxazole-5-amine
(3-Azepan-1-yl-propyl)-naphthalen-1-ylmethyl-(3-phenyl-isoxazol-5-yl)-amine
Inchi KeyBZEDPXCOJQWJKA-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33N3O/c1-2-9-19-31(18-8-1)20-11-21-32(23-26-16-10-15-24-12-6-7-17-27(24)26)29-22-28(30-33-29)25-13-4-3-5-14-25/h3-7,10,12-17,22H,1-2,8-9,11,18-21,23H2
PubChem CID44338864
ChEMBLCHEMBL108604
IUPHARN/A
BindingDB50109076
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
36360Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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