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Compound Detail

CHEMBL100884

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O=C([O-])C[C@H](O)CC(O)COc1c(CCCOc2ccc(F)cc2)cc(Cl)cc1C1CCCC1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100884
Phase Preclinical
Structure Type MOL
InChI Key STOVMJNFRKZMQN-PFYABRPLSA-M
Parent Compound CHEMBL1205466
Active Moiety CHEMBL1205466
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.0
MW (Da)
5.11
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31ClFNaO6
MW 516.97
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
1656041 10.1021/jm00114a004 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2

Data from ChEMBL 36 via Core Engine