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Name | CHEMBL331864 |
---|---|
Molecular formula | C13H16BrNO2 |
IUPAC name | [(4R,7R)-11-bromo-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-yl]methanamine |
Molecular weight | 298.18 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 2.0 |
Synonyms | C-(8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-5-yl)-methylamine BDBM50131669 |
Inchi Key | AUCHXXIFGAHPKU-YUMQZZPRSA-N |
Inchi ID | InChI=1S/C13H16BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,7-8H,2-3,5-6,15H2,1H3/t7-,8-/m0/s1 |
PubChem CID | 10990161 |
ChEMBL | CHEMBL331864 |
IUPHAR | N/A |
BindingDB | 50131669 |
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 |
---|---|---|---|---|---|
14509 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
14507 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
14508 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
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