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Compound Detail

CHEMBL5854211

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C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC(C)(C)CO)cc3)ncc2F)c1

Basic Information

ChEMBL ID CHEMBL5854211
Phase Preclinical
Structure Type MOL
InChI Key SUVNJTLMINXUPA-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.38
ALogP
7
HBA
4
HBD
108.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24FN5O3
MW 437.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.06

Activity Summary

IC50 3 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.26 6.9267 55.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine