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Compound Detail

CHEMBL119033

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COc1cccc2ncnc(Nc3cccc(Br)c3)c12

Basic Information

ChEMBL ID CHEMBL119033
Phase Preclinical
Structure Type MOL
InChI Key HMMROPZSAUEXBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.2
MW (Da)
4.14
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.78
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 C15H12BrN3O
MW 330.19
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.86 6.86 139.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658435 10.1021/jm00018a008 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine