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Name | CHEMBL1259129 |
---|---|
Molecular formula | C22H26N6S |
IUPAC name | 1-methyl-4-[3-[(1-methyltetrazol-5-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
Molecular weight | 406.552 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.3 |
Synonyms | 1-Methyl-4-[8-(1-methyl-1H-tetrazol-5-ylmethyl)-10,11-dihydrodibenzo-[b,f]thiepin-10-yl]piperazine BDBM50328499 |
Inchi Key | AKYWUMKVNYAANP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-24-25-27(22)2/h3-8,13,19H,9-12,14-15H2,1-2H3 |
PubChem CID | 49781891 |
ChEMBL | CHEMBL1259129 |
IUPHAR | N/A |
BindingDB | 50328499 |
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 |
---|---|---|---|---|---|
8040 | Alpha-1B adrenergic receptor | P15823 | Adra1b | Rattus norvegicus (Rat) | 515 |
8039 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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