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Compound Detail

CHEMBL3654344

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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCC4(CF)COC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3654344
Phase Preclinical
Structure Type MOL
InChI Key FFESYXGUALEKFZ-ZQGJOIPISA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.9
MW (Da)
1.81
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28ClFO7
MW 482.93
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.76

Activity Summary

IC50 8 meas. best 8.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
 IC50 8.46 8.445 3.5 4
Sodium/glucose cotransporter 1
CHEMBL4979
 IC50 5.59 5.515 2553.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 2 IC50 = 3.5 nM 8.46 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 2 IC50 = 3.5 nM 8.46 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 2 IC50 = 3.7 nM 8.43 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 2 IC50 = 3.7 nM 8.43 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 1 IC50 = 2553.0 nM 5.59 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 1 IC50 = 2553.0 nM 5.59 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 1 IC50 = 3622.0 nM 5.44 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -
Sodium/glucose cotransporter 1 IC50 = 3622.0 nM 5.44 Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... -

Data from ChEMBL 36 via Core Engine