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Compound Detail

CHEMBL1163687

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CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)F)cc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163687
Phase Preclinical
Structure Type MOL
InChI Key RHSVSHILTKCKDF-GEMFNBEASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
2.88
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32ClFO6
MW 482.98
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
20576578 10.1016/j.bmc.2010.04.088 Sodium/glucose cotransporter 2 1
20576578 10.1016/j.bmc.2010.04.088 Sodium/glucose cotransporter 1 1
20576578 10.1016/j.bmc.2010.04.088 Unchecked 1

Data from ChEMBL 36 via Core Engine