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Name | CHEMBL43909 |
---|---|
Molecular formula | C29H27N5O3S |
IUPAC name | 5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-12-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione |
Molecular weight | 525.627 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | 7-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-3-phenyl-5H-9-thia-1,4,5,7-tetraaza-fluorene-6,8-dione 3-[2-[[(3aR,9bR)-6-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole]-2-yl]ethyl]-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione BDBM50087486 |
Inchi Key | QQGYNGUUZMLKBV-GHTZIAJQSA-N |
Inchi ID | InChI=1S/C29H27N5O3S/c1-37-23-9-5-8-19-20(23)11-10-18-15-33(16-21(18)19)12-13-34-28(35)26-24(32-29(34)36)25-27(38-26)30-14-22(31-25)17-6-3-2-4-7-17/h2-9,14,18,21H,10-13,15-16H2,1H3,(H,32,36)/t18-,21+/m0/s1 |
PubChem CID | 10602180 |
ChEMBL | CHEMBL43909 |
IUPHAR | N/A |
BindingDB | 50087486 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
284340 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
284339 | Alpha-1B adrenergic receptor | P18841 | ADRA1B | Mesocricetus auratus (Golden hamster) | 515 |
284341 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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