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Compound Detail

CHEMBL434224

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Cc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434224
Phase Preclinical
Structure Type MOL
InChI Key NJJLTFMJOXKEJC-QCVDVZFFSA-M
Parent Compound CHEMBL1161643
Active Moiety CHEMBL1161643
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
3.86
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F2N2NaO4
MW 450.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.06

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