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Compound Detail

CHEMBL155172

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CCCCCCCCCCCCCCCC1(O)CC(=O)OC(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155172
Phase Preclinical
Structure Type MOL
InChI Key IVSLDVWBHLLTCI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
5.06
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36O4
MW 340.50
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3989819 10.1021/jm50001a011 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2

Data from ChEMBL 36 via Core Engine