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

CHEMBL1789987

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
[I-].[I-].c1cc[n+](CCC[n+]2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1789987
Phase Preclinical
Structure Type MOL
InChI Key VGRINWVKDAYADW-UHFFFAOYSA-L
Parent Compound CHEMBL1198978
Active Moiety CHEMBL1198978
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
1.35
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.66
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 C13H16I2N2
MW 454.09
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.02

Activity Summary

IC50 2 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.43 5.43 3685.0 1
Eukaryotic translation initiation factor 4H
CHEMBL1293274
IC50 4.01 4.01 96500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine