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Ligand

NameCHEMBL303988
Molecular formulaC25H31N3O4
IUPAC name3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6,7-dimethoxy-1,2-dihydroquinazolin-4-one
Molecular weight437.54
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
Synonyms6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,3-dihydro-1H-quinazolin-4-one
BDBM50100226
Inchi KeyAXGQSWAGPJPUTJ-OXJNMPFZSA-N
Inchi IDInChI=1S/C25H31N3O4/c1-30-22-6-4-5-17-18(22)8-7-16-13-27(14-20(16)17)9-10-28-15-26-21-12-24(32-3)23(31-2)11-19(21)25(28)29/h4-6,11-12,16,20,26H,7-10,13-15H2,1-3H3/t16-,20+/m0/s1
PubChem CID10622830
ChEMBLCHEMBL303988
IUPHARN/A
BindingDB50100226
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16692Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
16690Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
16691Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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