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Compound Detail

CHEMBL6041084

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C=CC(=O)N1CCC(n2nc(C(=O)Nc3nc4cc(F)ccc4o3)c3c(N)ncnc32)C1

Basic Information

ChEMBL ID CHEMBL6041084
Phase Preclinical
Structure Type MOL
InChI Key MBTQEKOQTVSXTJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
1.90
ALogP
9
HBA
2
HBD
145.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FN8O3
MW 436.41
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.4 7.4 39.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine