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Ligand

NameCHEMBL339093
Molecular formulaC21H29NO3S
IUPAC nameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-1-[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
Molecular weight375.527
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50001392
C-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-yl)-N-(2-indan-1-yl-ethyl)-methanesulfonamide
Inchi KeyDZAYYWWKNAJEMF-MYKUNDNFSA-N
Inchi IDInChI=1S/C21H29NO3S/c1-20(2)17-9-11-21(20,19(23)13-17)14-26(24,25)22-12-10-16-8-7-15-5-3-4-6-18(15)16/h3-6,16-17,22H,7-14H2,1-2H3/t16?,17?,21-/m1/s1
PubChem CID44350850
ChEMBLCHEMBL339093
IUPHARN/A
BindingDB50001392
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72468Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388

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