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Compound Detail

CHEMBL1642527

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Cc1ccc(S(=O)(=O)C[C@H]2O[C@@H](c3ccc(Cl)c(Cc4ncc(-c5ccco5)s4)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc1

Basic Information

ChEMBL ID CHEMBL1642527
Phase Preclinical
Structure Type MOL
InChI Key IZJGHHDMKNZABK-TVMVJRKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

576.1
MW (Da)
3.95
ALogP
9
HBA
3
HBD
130.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26ClNO7S2
MW 576.09
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
IC50 6.81 6.81 156.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21193308 10.1016/j.bmcl.2010.11.115 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine