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Compound Detail

CHEMBL193353

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CC(C)C[C@H](CN)[C@H](C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193353
Phase Preclinical
Structure Type MOL
InChI Key GOTSNEPSILVGRE-JGVFFNPUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

173.3
MW (Da)
1.33
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H19NO2
MW 173.26
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15801823 10.1021/jm049762l Unchecked 2
15801823 10.1021/jm049762l Mus musculus 1
15801823 10.1021/jm049762l Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine