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Compound Detail

CHEMBL351629

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CN(CC(=O)O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1

Basic Information

ChEMBL ID CHEMBL351629
Phase Preclinical
Structure Type MOL
InChI Key UFGHDYZMVXQBKH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.2
MW (Da)
3.05
ALogP
6
HBA
2
HBD
91.2
PSA (Ų)
0.69
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 C16H14BrN5O2
MW 388.23
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 9.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 9.36 9.36 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9513602 10.1021/jm970641d No relevant target 1
9513602 10.1021/jm970641d Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine