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Compound Detail

CHEMBL56180

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CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@@H](C)[C@@H](COC(=O)CCCC(=O)O)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56180
Phase Preclinical
Structure Type MOL
InChI Key FOMRJOULCLOOQV-UQEZQTQMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.90
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.60
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 C22H32O6
MW 392.49
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.84

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3656359 10.1021/jm00393a030 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1

Data from ChEMBL 36 via Core Engine