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Compound Detail

CHEMBL120403

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O=C1C[C@H](O)C[C@@H](CC[C@@H]2CCC[C@@H]3CCCC[C@@H]32)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120403
Phase Preclinical
Structure Type MOL
InChI Key YDLCQOCHJQIQPB-RBZJEDDUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.44
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H28O3
MW 280.41
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.96

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3973903 10.1021/jm00381a014 3-hydroxy-3-methylglutaryl-coenzyme A reductase 5

Data from ChEMBL 36 via Core Engine