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Name | CHEMBL543389 |
---|---|
Molecular formula | C20H31NO2 |
IUPAC name | (1R,3S)-3-cyclohexyl-6-methyl-1-(propylaminomethyl)-3,4-dihydro-1H-isochromen-5-ol |
Molecular weight | 317.473 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.6 |
Synonyms | 3-Cyclohexyl-6-methyl-1-propylaminomethyl-isochroman-5-ol; hydrochloride CHEMBL1192193 (1R)-1alpha-(Propylaminomethyl)-3,4-dihydro-3alpha-cyclohexyl-6-methyl-1H-2-benzopyran-5-ol BDBM50008826 |
Inchi Key | HNIPUZVIZRFWRR-OALUTQOASA-N |
Inchi ID | InChI=1S/C20H31NO2/c1-3-11-21-13-19-16-10-9-14(2)20(22)17(16)12-18(23-19)15-7-5-4-6-8-15/h9-10,15,18-19,21-22H,3-8,11-13H2,1-2H3/t18-,19-/m0/s1 |
PubChem CID | 15711852 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50008826 |
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 |
---|---|---|---|---|---|
561011 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
119398 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
119399 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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