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Ligand

NameCHEMBL3298899
Molecular formulaC24H29N3O4
IUPAC name(4aR,8S,8aR)-4-[(4-methoxyphenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-4a,5,6,7,8,8a-hexahydro-1H-quinoxaline-2,3-dione
Molecular weight423.513
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50021995
Inchi KeyAMNQEEATZWWARG-BHDDXSALSA-N
Inchi IDInChI=1S/C24H29N3O4/c1-30-18-10-6-16(7-11-18)14-25-20-4-3-5-21-22(20)26-23(28)24(29)27(21)15-17-8-12-19(31-2)13-9-17/h6-13,20-22,25H,3-5,14-15H2,1-2H3,(H,26,28)/t20-,21+,22+/m0/s1
PubChem CID90645387
ChEMBLCHEMBL3298899
IUPHARN/A
BindingDBN/A
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
9080Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380

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