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Ligand

NameCHEMBL559185
Molecular formulaC25H30N2O3S
IUPAC name4-methoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide
Molecular weight438.586
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.9
Synonymscompound 17 [PMID: 15300839]
CHEMBL1197056
4-methoxy-N-((1R,2R)-2-(1-(naphthalen-1-yl)ethylamino)cyclohexyl)benzenesulfonamide hydrochloride
D0Z5HX
4-methoxy-N-[(1R,2R)-2-{[1-(naphthalen-1-yl)ethyl]amino}cyclohexyl]benzene-1-sulfonamide
[ Show all ]
Inchi KeyAKPJKVQQBSNRID-XTEKXTAFSA-N
Inchi IDInChI=1S/C25H30N2O3S/c1-18(22-11-7-9-19-8-3-4-10-23(19)22)26-24-12-5-6-13-25(24)27-31(28,29)21-16-14-20(30-2)15-17-21/h3-4,7-11,14-18,24-27H,5-6,12-13H2,1-2H3/t18?,24-,25-/m1/s1
PubChem CID44415153
ChEMBLN/A
IUPHAR715
BindingDB50193413
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
7769Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079

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