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Compound Detail

CHEMBL347095

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CCCCCCCCc1c(-c2ccccc2)sc(C(C)C)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347095
Phase Preclinical
Structure Type MOL
InChI Key ZFDRCKILICZXMN-GAEXFDQISA-M
Parent Compound CHEMBL1207092
Active Moiety CHEMBL1207092
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
7.04
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39NaO4S
MW 494.67
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00065-6 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2

Data from ChEMBL 36 via Core Engine