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Ligand

NameCabastine
Molecular formulaC26H29FN2O2
IUPAC name1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
Molecular weight420.528
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
Synonyms1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
79516-68-0
AC1L1GZW
BDBM85844
CAS_54385
[ Show all ]
Inchi KeyZCGOMHNNNFPNMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)
PubChem CID3915
ChEMBLN/A
IUPHARN/A
BindingDB85844
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
462814Neurotensin receptor type 2P70310Ntsr2Mus musculus (Mouse)416

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