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Compound Detail

CHEMBL155612

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CCCCCCCCCCCCCCCC1(O)CCOC(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155612
Phase Preclinical
Structure Type MOL
InChI Key DIDBIIFLZIVTON-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.5
MW (Da)
5.54
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.34
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 C20H38O3
MW 326.52
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.15

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