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Compound Detail

CHEMBL5963910

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C=CC(=O)Nc1cccc(-c2nc(Nc3ccc4c(c3)OCCOCCOCCO4)ncc2F)c1

Basic Information

ChEMBL ID CHEMBL5963910
Phase Preclinical
Structure Type MOL
InChI Key OALQDJRVWCSCJT-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
3.96
ALogP
8
HBA
2
HBD
103.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25FN4O5
MW 480.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.27

Activity Summary

IC50 3 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
IC50 6.21 6.21 613.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine