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Compound Detail

CHEMBL150280

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c1ccc(Nc2[nH]cnc3nc4ccccc4c2-3)cc1

Basic Information

ChEMBL ID CHEMBL150280
Phase Preclinical
Structure Type MOL
InChI Key RNCCWYOKKBCIPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
3.81
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.58
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 C16H12N4
MW 260.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 6.58 6.58 264.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639288 10.1021/jm9903949 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine