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Compound Detail

CHEMBL358171

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CC(C)c1sc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358171
Phase Preclinical
Structure Type MOL
InChI Key AKMXTLJGAYGOFT-ARNWAHAKSA-M
Parent Compound CHEMBL1207194
Active Moiety CHEMBL1207194
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.7
MW (Da)
7.47
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31NaO4S
MW 534.65
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.35

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