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Compound Detail

CHEMBL84223

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COc1cc(OC)c2nc3ccccc3c(NCCC[N+](C)(C)[O-])c2c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84223
Phase Preclinical
Structure Type MOL
InChI Key PLFOKKFRJHAPLG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
3.69
ALogP
7
HBA
1
HBD
109.6
PSA (Ų)
0.20
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N4O5
MW 400.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine