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Name | CHEMBL302192 |
---|---|
Molecular formula | C25H33N3O3 |
IUPAC name | (3aR,9bR)-2-[2-(6,7-dimethoxy-2,4-dihydro-1H-quinazolin-3-yl)ethyl]-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole |
Molecular weight | 423.557 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | 2-[2-(6,7-Dimethoxy-1,4-dihydro-2H-quinazolin-3-yl)-ethyl]-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole BDBM50100201 |
Inchi Key | CTAPRHUYCGFSKX-LAUBAEHRSA-N |
Inchi ID | InChI=1S/C25H33N3O3/c1-29-23-6-4-5-19-20(23)8-7-17-13-27(15-21(17)19)9-10-28-14-18-11-24(30-2)25(31-3)12-22(18)26-16-28/h4-6,11-12,17,21,26H,7-10,13-16H2,1-3H3/t17-,21+/m0/s1 |
PubChem CID | 10622206 |
ChEMBL | CHEMBL302192 |
IUPHAR | N/A |
BindingDB | 50100201 |
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 |
---|---|---|---|---|---|
49943 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
49942 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
49944 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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