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Compound Detail

CHEMBL592667

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CC(C)(c1ccc(Cl)cc1)c1nnc(Cc2cc(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592667
Phase Preclinical
Structure Type MOL
InChI Key GEBAZWFFYRSICJ-JQQDRUSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

525.5
MW (Da)
3.28
ALogP
8
HBA
4
HBD
115.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26Cl2N2O5S
MW 525.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
20181486 10.1016/j.bmc.2010.01.073 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine