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Compound Detail

CHEMBL3115592

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CC1(C)CC(=O)c2c(nc3ccc([N+](=O)[O-])cc3c2-c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115592
Phase Preclinical
Structure Type MOL
InChI Key JYPYYKNQRVHZPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.97
ALogP
4
HBA
0
HBD
73.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O3
MW 346.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
24412719 10.1016/j.ejmech.2013.12.013 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine