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Compound Detail

CHEMBL333418

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Nc1cccc2ncnc(Nc3cccc(Br)c3)c12

Basic Information

ChEMBL ID CHEMBL333418
Phase Preclinical
Structure Type MOL
InChI Key VFDHVXMKHJATKX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.2
MW (Da)
3.72
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.71
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 C14H11BrN4
MW 315.17
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.36 6.36 439.0 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