Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL71857

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71857
Phase Preclinical
Structure Type MOL
InChI Key LUZNBBPGOHLPBY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
0.80
ALogP
7
HBA
0
HBD
118.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O6
MW 322.28
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.81

Activity Summary

IC50 3 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 2700.0 nM 5.57 Growth inhibition of aerobic chinese hamster ovary fibroblast UV4 cells using an... 1507207

Literature References

PubMed DOI Target Context # Activities
1507207 10.1021/jm00095a018 ADMET 4
8035424 10.1021/jm00040a009 NON-PROTEIN TARGET 2
8035424 10.1021/jm00040a009 UV4 2
1507207 10.1021/jm00095a018 Unchecked 1
8035424 10.1021/jm00040a009 CHO-AA8 1

Data from ChEMBL 36 via Core Engine