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Compound Detail

CHEMBL6042416

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CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c4ccccc4c23)C1

Basic Information

ChEMBL ID CHEMBL6042416
Phase Preclinical
Structure Type MOL
InChI Key SXTZWPJXCFMDMJ-ZDUSSCGKSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.67
ALogP
3
HBA
3
HBD
91.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN4O2
MW 392.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.59

Activity Summary

IC50 6 meas. best 10.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
IC50 10.17 10.16 0.1 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine