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Compound Detail

CHEMBL5751497

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C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc(O[C@@H]4CCOC4)cc3)ncc2F)C1

Basic Information

ChEMBL ID CHEMBL5751497
Phase Preclinical
Structure Type MOL
InChI Key RFABWQVFHMNBMU-SJLPKXTDSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.12
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FN5O3
MW 427.48
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.99

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