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Compound Detail

CHEMBL4171145

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

Basic Information

ChEMBL ID CHEMBL4171145
Phase Preclinical
Structure Type MOL
InChI Key RFRVDTNXOAICDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

469.0
MW (Da)
3.18
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9I2NO3
MW 469.02
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
29702446 10.1016/j.ejmech.2018.04.035 Cellular tumor antigen p53 1
29702446 10.1016/j.ejmech.2018.04.035 No relevant target 1

Data from ChEMBL 36 via Core Engine