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Compound Detail

CHEMBL123417

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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-c1cccnc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123417
Phase Preclinical
Structure Type MOL
InChI Key ZIUIPBQUKMSOTH-GBNZRNLASA-M
Parent Compound CHEMBL1205626
Active Moiety CHEMBL1205626
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
3.75
ALogP
6
HBA
3
HBD
108.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F4N3NaO4
MW 489.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.64

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