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Compound Detail

CHEMBL4160358

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O=C(O)c1cc(-c2ccccc2)c(-n2cccc2)c(I)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160358
Phase Preclinical
Structure Type MOL
InChI Key SKPWJLKOTXYWOP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.2
MW (Da)
4.15
ALogP
3
HBA
2
HBD
62.5
PSA (Ų)
0.64
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 C17H12INO3
MW 405.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.48

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