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Compound Detail

CHEMBL1085189

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CCc1ccc(Cc2cc([C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)ccc2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085189
Phase Preclinical
Structure Type MOL
InChI Key PDKMPBWKXXEKCR-YSFYHYPLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
2.69
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.77
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 C22H28O4
MW 356.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
20149653 10.1016/j.bmcl.2010.01.075 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine