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Compound Detail

CHEMBL115745

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COc1cc2ncnc(NCc3ccccc3)c2cc1O

Basic Information

ChEMBL ID CHEMBL115745
Phase Preclinical
Structure Type MOL
InChI Key ARGNVJPDKVQMDV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.96
ALogP
5
HBA
2
HBD
67.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2
MW 281.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.25 7.25 56.0 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