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Name | CHEMBL11313 |
---|---|
Molecular formula | C23H25ClN2O2 |
IUPAC name | 1-[4-[13-chloro-6-(1-hydroxyethyl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]piperidin-1-yl]ethanone |
Molecular weight | 396.915 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50281836 SCHEMBL8878164 1-{4-[8-Chloro-3-(1-hydroxy-ethyl)-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-piperidin-1-yl}-ethanone |
Inchi Key | FTRLGWYKFAFTDF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H25ClN2O2/c1-14(27)19-11-18-4-3-17-12-20(24)5-6-21(17)22(23(18)25-13-19)16-7-9-26(10-8-16)15(2)28/h5-6,11-14,27H,3-4,7-10H2,1-2H3 |
PubChem CID | 44267118 |
ChEMBL | CHEMBL11313 |
IUPHAR | N/A |
BindingDB | 50281836 |
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 |
---|---|---|---|---|---|
86995 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
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