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Compound Detail

CHEMBL7339

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COc1cc(O)c2c(=O)c(-c3cccc(Cl)c3)coc2c1

Basic Information

ChEMBL ID CHEMBL7339
Phase Preclinical
Structure Type MOL
InChI Key LDUNOFBTXWMVEY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

302.7
MW (Da)
3.83
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
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 C16H11ClO4
MW 302.71
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.54

Activity Summary

IC50 2 meas. best 5.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 5.9 5.9 1270.0 1
Epidermal growth factor receptor
CHEMBL3608
IC50 4.34 4.34 45200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10090785 10.1021/jm980551o Epidermal growth factor receptor 3
10090785 10.1021/jm980551o Tyrosine-protein kinase ABL 1
10090785 10.1021/jm980551o Proto-oncogene tyrosine-protein kinase Src 1
10090785 10.1021/jm980551o Protein kinase C alpha type 1
10090785 10.1021/jm980551o Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine