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Ligand

NameCHEMBL326085
Molecular formulaC24H28O7
IUPAC name[(1S)-1-(1,6-dimethoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate
Molecular weight428.481
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.6
SynonymsAcetic acid (S)-1-(4,11-dimethoxy-9-methyl-5-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-3-yl)-3-methyl-butyl ester
BDBM50281512
Inchi KeyKCGSFIODCSTCQI-IBGZPJMESA-N
Inchi IDInChI=1S/C24H28O7/c1-13(2)9-19(30-15(4)25)17-7-8-18-21(23(17)28-6)24(26)29-12-16-10-14(3)11-20(27-5)22(16)31-18/h7-8,10-11,13,19H,9,12H2,1-6H3/t19-/m0/s1
PubChem CID44342196
ChEMBLCHEMBL326085
IUPHARN/A
BindingDB50281512
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
165714Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
165713Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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