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Compound Detail

CHEMBL1914674

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C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C#N)cc3)cc12)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL1914674
Phase Preclinical
Structure Type MOL
InChI Key TUWHDDIOMXGHHR-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.81
ALogP
4
HBA
2
HBD
77.4
PSA (Ų)
0.55
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 C21H16FN5
MW 357.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 14.0 nM 7.85 Inhibition of EGFR by Z-LYTE assay 22018877

Literature References

PubMed DOI Target Context # Activities
22018877 10.1016/j.ejmech.2011.10.012 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine