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

CHEMBL4171798

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(O)c1cc(OCCc2ccccc2)c(-n2cccc2)c(I)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171798
Phase Preclinical
Structure Type MOL
InChI Key SLRGCKWWQXFSSN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.2
MW (Da)
4.11
ALogP
4
HBA
2
HBD
71.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16INO4
MW 449.24
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.45

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
29702446 10.1016/j.ejmech.2018.04.035 Cellular tumor antigen p53 2

Data from ChEMBL 36 via Core Engine