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Compound Detail

CHEMBL434604

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CC[C@H](C)C(=O)OCc1ccccc1CCC(=O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434604
Phase Preclinical
Structure Type MOL
InChI Key GQDBBROKVSIBNZ-SUMWQHHRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.50
ALogP
5
HBA
2
HBD
100.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26O6
MW 350.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.99

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2909732 10.1021/jm00121a036 3-hydroxy-3-methylglutaryl-coenzyme A reductase 11

Data from ChEMBL 36 via Core Engine