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Name | CHEMBL1259005 |
---|---|
Molecular formula | C24H26N2S2 |
IUPAC name | 1-methyl-4-[3-(5-methylthiophen-2-yl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
Molecular weight | 406.606 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 5.4 |
Synonyms | BDBM50328484 1-Methyl-4-(8-(5-methylthiophen-2-yl)-10,11-dihydrodibenzo-[b,f]thiepin-10-yl)piperazine |
Inchi Key | JLCDZKSQUUANJO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H26N2S2/c1-17-7-9-23(27-17)19-8-10-24-20(15-19)21(26-13-11-25(2)12-14-26)16-18-5-3-4-6-22(18)28-24/h3-10,15,21H,11-14,16H2,1-2H3 |
PubChem CID | 49781448 |
ChEMBL | CHEMBL1259005 |
IUPHAR | N/A |
BindingDB | 50328484 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
153541 | Alpha-1A adrenergic receptor | P18130 | ADRA1A | Bos taurus (Bovine) | 466 |
153542 | Alpha-1B adrenergic receptor | P18841 | ADRA1B | Mesocricetus auratus (Golden hamster) | 515 |
153539 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
153540 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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