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Compound Detail

CHEMBL2115056

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

Basic Information

ChEMBL ID CHEMBL2115056
Phase Preclinical
Structure Type MOL
InChI Key IBEBWEGAFOWZMK-AQHBZZKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
2.87
ALogP
6
HBA
2
HBD
110.1
PSA (Ų)
0.56
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 C22H32O7
MW 408.49
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 1.95

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