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Compound Detail

CHEMBL190567

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COCC(=O)Nc1ccc2ncnc(Nc3cccc(I)c3)c2c1

Basic Information

ChEMBL ID CHEMBL190567
Phase Preclinical
Structure Type MOL
InChI Key UWMXSEPOOAWMGK-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.2
MW (Da)
3.56
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15IN4O2
MW 434.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.08

Activity Summary

IC50 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.82 5.4733 150.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16078851 10.1021/jm0580196 Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine