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Compound Detail

CHEMBL2111237

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Cc1nc(C)c(/C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(Cl)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111237
Phase Preclinical
Structure Type MOL
InChI Key TZJHSQWXRDXDCN-ZJBFNYKTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
3.49
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.85
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 C19H19ClN2O3
MW 358.83
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
2296036 10.1021/jm00163a010 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1

Data from ChEMBL 36 via Core Engine