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

CHEMBL1480280

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
COc1cccc(NC(=O)c2ccc[n+](C)c2)c1.[I-]

Basic Information

ChEMBL ID CHEMBL1480280
Phase Preclinical
Structure Type MOL
InChI Key JCAQLPWHZMHCHU-UHFFFAOYSA-N
Parent Compound CHEMBL1622913
Active Moiety CHEMBL1622913
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
1.77
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15IN2O2
MW 370.19
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.07

Activity Summary

IC50 3 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA dC->dU-editing enzyme APOBEC-3G
CHEMBL1741217
IC50 5.65 5.65 2220.0 1
DNA dC->dU-editing enzyme APOBEC-3A
CHEMBL1741179
IC50 5.63 5.63 2330.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.31 5.31 4860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine