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Name | CHEMBL62109 |
---|---|
Molecular formula | C24H26ClN3O4 |
IUPAC name | 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6-chloro-7-methoxy-1H-quinazoline-2,4-dione |
Molecular weight | 455.939 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | BDBM50100207 6-Chloro-7-methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione 6-Chloro-7-methoxy-3-[2-(6-methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]quinazoline-2,4(1H,3H)-dione |
Inchi Key | CPYTXHMLULQLQU-KBXCAEBGSA-N |
Inchi ID | InChI=1S/C24H26ClN3O4/c1-31-21-5-3-4-15-16(21)7-6-14-12-27(13-18(14)15)8-9-28-23(29)17-10-19(25)22(32-2)11-20(17)26-24(28)30/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3,(H,26,30)/t14-,18+/m0/s1 |
PubChem CID | 10742417 |
ChEMBL | CHEMBL62109 |
IUPHAR | N/A |
BindingDB | 50100207 |
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 |
---|---|---|---|---|---|
47834 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
47833 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
47832 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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