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Name | CHEMBL294345 |
---|---|
Molecular formula | C21H23NO3 |
IUPAC name | (11Z)-11-[4-(dimethylamino)butylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid |
Molecular weight | 337.419 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | 11-(4-Dimethylamino-butylidene)-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid BDBM50002097 SCHEMBL5060826 6,11-Dihydro-11-[(Z)-4-dimethylaminobutylidene]dibenz[b,e]oxepin-2-carboxylic acid |
Inchi Key | ARFFJDYERFVHNC-NVMNQCDNSA-N |
Inchi ID | InChI=1S/C21H23NO3/c1-22(2)12-6-5-9-18-17-8-4-3-7-16(17)14-25-20-11-10-15(21(23)24)13-19(18)20/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,23,24)/b18-9- |
PubChem CID | 15749431 |
ChEMBL | CHEMBL294345 |
IUPHAR | N/A |
BindingDB | 50002097 |
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 |
---|---|---|---|---|---|
12409 | Histamine H1 receptor | P31389 | HRH1 | Cavia porcellus (Guinea pig) | 488 |
12410 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
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