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Name | CHEMBL362060 |
---|---|
Molecular formula | C18H19N3OS |
IUPAC name | 6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde |
Molecular weight | 325.43 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 2.7 |
Synonyms | SCHEMBL6209665 9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene-1-carbaldehyde BDBM50137984 |
Inchi Key | BNUHYEGPJNDGQR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19N3OS/c1-19-8-10-20(11-9-19)16-12-21-14(13-22)6-7-18(21)23-17-5-3-2-4-15(16)17/h2-7,12-13H,8-11H2,1H3 |
PubChem CID | 9945168 |
ChEMBL | CHEMBL362060 |
IUPHAR | N/A |
BindingDB | 50137984 |
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 |
---|---|---|---|---|---|
28455 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
28454 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
28453 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
28456 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
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