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Ligand

NameCHEMBL217456
Molecular formulaC27H33F2NO3
IUPAC nameethyl (2R,3S)-3-[bis(4-fluorophenyl)methoxy]-8-butyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular weight457.562
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.8
SynonymsSCHEMBL14723770
BDBM50196230
S-(+)-N-butyl-2beta-carboethoxy-3alpha-[bis(4-fluorophenyl)methoxy]-tropane
Inchi KeyBBKLIXXXQRYDQK-ZOOXZOTBSA-N
Inchi IDInChI=1S/C27H33F2NO3/c1-3-5-16-30-22-14-15-23(30)25(27(31)32-4-2)24(17-22)33-26(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h6-13,22-26H,3-5,14-17H2,1-2H3/t22?,23?,24-,25+/m0/s1
PubChem CID44417423
ChEMBLCHEMBL217456
IUPHARN/A
BindingDB50196230
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
19559Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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