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Name | CGP 62349 |
---|---|
Molecular formula | C21H28NO6P |
IUPAC name | 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid |
Molecular weight | 421.43 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | -1.1 |
Synonyms | DTXSID80415496 SCHEMBL12477448 D0YI7B [3H]CGP62349 3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid [ Show all ] |
Inchi Key | AKUSEWDIEMJQBM-BEFAXECRSA-N |
Inchi ID | InChI=1S/C21H28NO6P/c1-15(17-5-4-6-18(11-17)21(24)25)22(2)12-19(23)14-29(26,27)13-16-7-9-20(28-3)10-8-16/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1 |
PubChem CID | 5310936 |
ChEMBL | N/A |
IUPHAR | 1072 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
553280 | Gamma-aminobutyric acid type B receptor subunit 1 | Q9Z0U4 | Gabbr1 | Rattus norvegicus (Rat) | 991 |
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