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Name | CHEMBL417890 |
---|---|
Molecular formula | C25H25N3O4 |
IUPAC name | 3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)ethyl]-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione |
Molecular weight | 431.492 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50087500 (Cis)3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-benzo[4,5]furo[3,2-d]pyrimidine-2,4-dione |
Inchi Key | BGHNZJFYSHXJFO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H25N3O4/c1-31-20-8-4-6-16-17(20)10-9-15-13-27(14-19(15)16)11-12-28-24(29)23-22(26-25(28)30)18-5-2-3-7-21(18)32-23/h2-8,15,19H,9-14H2,1H3,(H,26,30) |
PubChem CID | 10502807 |
ChEMBL | CHEMBL417890 |
IUPHAR | N/A |
BindingDB | 50087500 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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23014 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
23011 | Alpha-1B adrenergic receptor | P18841 | ADRA1B | Mesocricetus auratus (Golden hamster) | 515 |
23013 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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