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Compound Detail

CHEMBL2303674

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CC(C)n1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC(=O)[O-])=C(c1ccc(F)cc1)c1ccc(F)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2303674
Phase Preclinical
Structure Type MOL
InChI Key SPGULZHBLZUNFN-TXZXBCQKSA-M
Parent Compound CHEMBL1205500
Active Moiety CHEMBL1205500
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
3.79
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25F2N4NaO4
MW 518.50
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.35

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2231596 10.1021/jm00173a013 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2

Data from ChEMBL 36 via Core Engine