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Compound Detail

CHEMBL341053

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CN(C)c1ccc(Nc2ncnc3cc(N)ncc23)cc1

Basic Information

ChEMBL ID CHEMBL341053
Phase Preclinical
Structure Type MOL
InChI Key DJDLWERONIANEV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.42
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.77
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 C15H16N6
MW 280.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 5.31 5.31 4860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7562908 10.1021/jm00019a007 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine