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Name | CHEMBL175226 |
---|---|
Molecular formula | C19H24ClN3OS |
IUPAC name | 8-chloro-3-(methoxymethyl)-6-(4-methylpiperazin-1-yl)-5,6-dihydropyrrolo[2,1-b][1,3]benzothiazepine |
Molecular weight | 377.931 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | BDBM50137979 7-Chloro-1-methoxymethyl-9-(4-methyl-piperazin-1-yl)-9,10-dihydro-4-thia-10a-aza-benzo[f]azulene |
Inchi Key | AHDOWCJMWQLFRW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H24ClN3OS/c1-21-7-9-22(10-8-21)17-12-23-15(13-24-2)4-6-19(23)25-18-5-3-14(20)11-16(17)18/h3-6,11,17H,7-10,12-13H2,1-2H3 |
PubChem CID | 11406281 |
ChEMBL | CHEMBL175226 |
IUPHAR | N/A |
BindingDB | 50137979 |
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 |
---|---|---|---|---|---|
5452 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
5454 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
5453 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
5455 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
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