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Compound Detail

CHEMBL100504

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Cc1cc(C)c(CCCP(=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100504
Phase Preclinical
Structure Type MOL
InChI Key PPWOSNFLPPZUDM-SFHVURJKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
4.46
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.52
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 C22H28FO5P
MW 422.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2231594 10.1021/jm00173a007 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1

Data from ChEMBL 36 via Core Engine