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

CHEMBL3884685

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
CCOC(=O)N1CCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884685
Phase Preclinical
Structure Type MOL
InChI Key ZHNLDIGDDVGFJH-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
1.84
ALogP
8
HBA
1
HBD
157.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5O7
MW 379.33
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.86

Activity Summary

IC50 6 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 4.55 4.385 27830.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 27830.0 nM 4.55 Antioxidant activity assessed as inhibition of beta carotene/ linoleic acid pero... 27592396
No relevant target IC50 = 59950.0 nM 4.22 Antioxidant activity assessed as DPPH free radical scavenging activity after 2 h... 27592396

Literature References

PubMed DOI Target Context # Activities
27592396 10.1016/j.ejmech.2016.08.037 No relevant target 4
27592396 10.1016/j.ejmech.2016.08.037 NON-PROTEIN TARGET 2
27592396 10.1016/j.ejmech.2016.08.037 Acetylcholinesterase 1
27592396 10.1016/j.ejmech.2016.08.037 Cholinesterase 1

Data from ChEMBL 36 via Core Engine