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Name | CHEMBL100572 |
---|---|
Molecular formula | C16H23NO3 |
IUPAC name | (1R,3S)-1-(aminomethyl)-3-cyclohexyl-3,4-dihydro-1H-isochromene-5,6-diol |
Molecular weight | 277.364 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.4 |
Synonyms | (1R)-1alpha-Aminomethyl-3,4-dihydro-3alpha-cyclohexyl-1H-2-benzopyran-5,6-diol BDBM50008832 D05NBK 1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol SCHEMBL10380336 |
Inchi Key | BOKASTZDGGZFET-GJZGRUSLSA-N |
Inchi ID | InChI=1S/C16H23NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h6-7,10,14-15,18-19H,1-5,8-9,17H2/t14-,15-/m0/s1 |
PubChem CID | 15696466 |
ChEMBL | CHEMBL100572 |
IUPHAR | N/A |
BindingDB | 50008832 |
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 |
---|---|---|---|---|---|
28858 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
28857 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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