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Compound Detail

CHEMBL4858583

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CN(/N=N\c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C(=O)OCCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4858583
Phase Preclinical
Structure Type MOL
InChI Key CEJANPMZSKHVCI-VHXPQNKSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.2
MW (Da)
5.29
ALogP
7
HBA
1
HBD
92.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2N6O2
MW 405.25
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 9.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 9.41 9.41 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 0.39 nM 9.41 Inhibition of EGFR (unknown origin) 33771586

Literature References

PubMed DOI Target Context # Activities
33771586 10.1016/j.bmcl.2021.127987 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine