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Name | CHEMBL1259062 |
---|---|
Molecular formula | C26H28N2S |
IUPAC name | 1-methyl-4-[3-(2-methylphenyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
Molecular weight | 400.584 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.7 |
Synonyms | 1-Methyl-4-(8-o-tolyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-piperazine BDBM50328490 |
Inchi Key | FUZKHNSFTYISEL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H28N2S/c1-19-7-3-5-9-22(19)20-11-12-26-23(17-20)24(28-15-13-27(2)14-16-28)18-21-8-4-6-10-25(21)29-26/h3-12,17,24H,13-16,18H2,1-2H3 |
PubChem CID | 49781676 |
ChEMBL | CHEMBL1259062 |
IUPHAR | N/A |
BindingDB | 50328490 |
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 |
---|---|---|---|---|---|
87885 | Alpha-1A adrenergic receptor | P18130 | ADRA1A | Bos taurus (Bovine) | 466 |
87887 | Alpha-1B adrenergic receptor | P18841 | ADRA1B | Mesocricetus auratus (Golden hamster) | 515 |
87884 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
87886 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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