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Compound Detail

CHEMBL312061

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COc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312061
Phase Preclinical
Structure Type MOL
InChI Key UVOVHZZNMXFDRJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.68
ALogP
6
HBA
1
HBD
100.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O4
MW 370.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8691448 10.1021/jm9600104 Unchecked 3
8691448 10.1021/jm9600104 CHO-AA8 2
8691448 10.1021/jm9600104 Mus musculus 1
8691448 10.1021/jm9600104 EMT6 1

Data from ChEMBL 36 via Core Engine