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Compound Detail

CHEMBL589079

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Cc1noc(C)c1-c1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL589079
Phase Preclinical
Structure Type MOL
InChI Key RFGHVKZKQSVMMC-SFKBXODTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.9
MW (Da)
1.57
ALogP
10
HBA
4
HBD
142.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN3O6S
MW 467.93
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.18

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