General Information of the Compound
| Compound ID |
CP0198642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Synonyms |
1ULL0QJ8UC
2-(3-(4-Ethoxybenzyl)-4-chlorophenyl)-6-hydroxymethyltetrahydro-2H-pyran-3,4,5-triol
BMS 512148
BMS-512148
BMS-512148, Dapagliflozin
BMS512148
CHEBI:85078
CHEMBL3125458
CHEMBL429910
Dapagliflozin
Dapagliflozin (INN/USAN)
Dapagliflozin [USAN:INN]
Farxiga
Forxiga
Forxiga (TN)
UNII-1ULL0QJ8UC
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25ClO6
|
||||||||||||||||||
| Molecular Weight |
408.878
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVHXJTBJCFBINQ-ADAARDCZSA-N
|
||||||||||||||||||
| CAS |
461432-26-8
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06111, Probable glucose sensor protein SLC5A4
Protein ID: PT03804, Sodium/glucose cotransporter 1
Cell-based Assay
Protein ID: PT02415, Sodium/glucose cotransporter 2
Cell-based Assay
Protein ID: PT02832, Sodium/glucose cotransporter 2
Protein ID: PT07147, Sodium/myo-inositol cotransporter 2
Clinical Information about the Compound
Drug 1 ( Dapagliflozin )
| Drug Name | Dapagliflozin | ||
|---|---|---|---|
| Company | AstraZeneca | ||
| Indication | |||
| Target(s) |
Sodium/glucose cotransporter 2 (SGLT2)
Modulator
|
||