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Compound Detail

CHEMBL5267190

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CCOc1ccc(Cc2cc([C@]34CO[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1

Basic Information

ChEMBL ID CHEMBL5267190
Phase Preclinical
Structure Type MOL
InChI Key PZDHVNJOMAZQFF-LXHROKJGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.9
MW (Da)
1.36
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClO7
MW 436.89
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.66

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
IC50 6.15 6.15 714.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/glucose cotransporter 2 IC50 = 714.0 nM 6.15 Inhibition of human SGLT2 34213340

Literature References

PubMed DOI Target Context # Activities
34213340 10.1021/acs.jmedchem.1c00790 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine