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Ligand

NameCHEMBL327928
Molecular formulaC21H25NO2
IUPAC name(3S)-3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]decane
Molecular weight323.436
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50118662
3-(2-Methoxy-phenyl)-6-phenyl-1-oxa-7-aza-spiro[4.5]decane
Inchi KeyACSJGOJPLODBLW-MDMXATFFSA-N
Inchi IDInChI=1S/C21H25NO2/c1-23-19-11-6-5-10-18(19)17-14-21(24-15-17)12-7-13-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,17,20,22H,7,12-15H2,1H3/t17-,20?,21?/m1/s1
PubChem CID44325096
ChEMBLCHEMBL327928
IUPHARN/A
BindingDB50118662
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1876Substance-P receptorP25103TACR1Homo sapiens (Human)407

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