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Compound Detail

CHEMBL340520

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COc1ccc(Cc2cn(Cc3ccc(OC)cc3)c(NC3=NC(=O)N(C)C3=O)n2)cc1

Basic Information

ChEMBL ID CHEMBL340520
Phase Preclinical
Structure Type MOL
InChI Key USFHMQUNULPGAQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
2.94
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O4
MW 433.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.14

Activity Summary

IC50 2 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin receptor
CHEMBL3187
IC50 5.17 5.17 6700.0 1
Epidermal growth factor receptor
CHEMBL3608
IC50 4.43 4.43 36900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9748366 10.1021/jm980294n Epidermal growth factor receptor 1
9748366 10.1021/jm980294n Insulin receptor 1
9748366 10.1021/jm980294n Unchecked 1

Data from ChEMBL 36 via Core Engine