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Compound Detail

CHEMBL23882

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O=[N+]([O-])c1ccc(CNCCCCNCc2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23882
Phase Preclinical
Structure Type MOL
InChI Key VZRKZOUALBGRIH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.16
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O4
MW 358.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.73

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11965367 10.1016/s0960-894x(02)00156-7 MDA-MB-231 1
11965367 10.1016/s0960-894x(02)00156-7 PC-3 1

Data from ChEMBL 36 via Core Engine