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Compound Detail

CHEMBL156008

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CCCCCCCCCCCCCCCC(O)(CC(=O)OCC)CC(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156008
Phase Preclinical
Structure Type MOL
InChI Key HRVMNSGMXRHSGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
6.11
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H46O5
MW 414.63
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
3989819 10.1021/jm50001a011 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2
3989819 10.1021/jm50001a011 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine