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

CHEMBL2348288

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
CC(C)NC(=O)NC[C@@H](N)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348288
Phase Preclinical
Structure Type MOL
InChI Key AIHYOACPXUHOBO-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

595.2
MW (Da)
3.97
ALogP
4
HBA
4
HBD
96.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23I2N3O3
MW 595.22
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proliferating cell nuclear antigen
CHEMBL2346488
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proliferating cell nuclear antigen IC50 = 1300.0 nM 5.89 Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carbox... 23395113

Literature References

PubMed DOI Target Context # Activities
23395113 10.1016/j.bmc.2013.01.022 Proliferating cell nuclear antigen 6
23395113 10.1016/j.bmc.2013.01.022 U2OS 2
23395113 10.1016/j.bmc.2013.01.022 HeLa 1

Data from ChEMBL 36 via Core Engine