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Compound Detail

CHEMBL321715

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CC(C)n1nnc(C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])=C(c2ccc(F)cc2)c2ccc(F)cc2)n1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321715
Phase Preclinical
Structure Type MOL
InChI Key VDGVJILRDUGHQD-JUGDMTMFSA-M
Parent Compound CHEMBL1206885
Active Moiety CHEMBL1206885
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
3.63
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.38
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 C25H25F2N4NaO4
MW 506.49
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.14

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