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Name | CHEMBL544099 |
---|---|
Molecular formula | C18H27NO2 |
IUPAC name | (1R,3S)-3-cyclohexyl-6-methyl-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-5-ol |
Molecular weight | 289.419 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | SCHEMBL9802511 3-Cyclohexyl-6-methyl-1-methylaminomethyl-isochroman-5-ol; hydrobromide CHEMBL1192799 (1R)-1alpha-(Methylaminomethyl)-3,4-dihydro-3alpha-cyclohexyl-6-methyl-1H-2-benzopyran-5-ol BDBM50008831 |
Inchi Key | TWJRNAUVADBAOE-IRXDYDNUSA-N |
Inchi ID | InChI=1S/C18H27NO2/c1-12-8-9-14-15(18(12)20)10-16(21-17(14)11-19-2)13-6-4-3-5-7-13/h8-9,13,16-17,19-20H,3-7,10-11H2,1-2H3/t16-,17-/m0/s1 |
PubChem CID | 15711855 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50008831 |
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 |
---|---|---|---|---|---|
567590 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
329089 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
329090 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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