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Compound Detail

CHEMBL268767

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O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1nnnc1-c1ccccc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268767
Phase Preclinical
Structure Type MOL
InChI Key NDVOZOCTUYOZOR-VYNYPGNQSA-M
Parent Compound CHEMBL1206387
Active Moiety CHEMBL1206387
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

518.5
MW (Da)
4.18
ALogP
7
HBA
3
HBD
121.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23F2N4NaO4
MW 540.50
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80623-X 3-hydroxy-3-methylglutaryl-coenzyme A reductase 3
- 10.1016/S0960-894X(00)80623-X Unchecked 1

Data from ChEMBL 36 via Core Engine