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Compound Detail

CHEMBL132069

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COC(=O)CN(C)C(=O)c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132069
Phase Preclinical
Structure Type MOL
InChI Key WWDOWMVWBBKQDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
0.26
ALogP
3
HBA
1
HBD
62.4
PSA (Ų)
0.71
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 C9H12N2O3
MW 196.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
9767647 10.1021/jm9802968 Aldo-keto reductase family 1 member B1 1
9767647 10.1021/jm9802968 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine