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Name | CHEMBL70609 |
---|---|
Molecular formula | C19H22N4O3S |
IUPAC name | [6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-3-yl] methanesulfonate |
Molecular weight | 386.47 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 2.0 |
Synonyms | BDBM50078065 Methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-8-yl ester 11-(4-Methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine-8-ol methanesulfonate |
Inchi Key | CCMSWCPOSSFEQM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H22N4O3S/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(13-18(17)21-19)26-27(2,24)25/h3-8,13,20H,9-12H2,1-2H3 |
PubChem CID | 135493554 |
ChEMBL | CHEMBL70609 |
IUPHAR | N/A |
BindingDB | 50078065 |
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 |
---|---|---|---|---|---|
558455 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
558457 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
558458 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
558454 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
558456 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
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