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Compound Detail

CHEMBL333437

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O=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccc(C(F)(F)F)cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333437
Phase Preclinical
Structure Type MOL
InChI Key ZIHRLJQRAJTNHE-JAXOOIEVSA-M
Parent Compound CHEMBL1207002
Active Moiety CHEMBL1207002
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

534.4
MW (Da)
5.37
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F7N2NaO4
MW 556.41
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
8246233 10.1021/jm00075a020 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1

Data from ChEMBL 36 via Core Engine