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Compound Detail

CHEMBL6052024

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C=CC(=O)N1C[C@@H]2CN(c3ccc(C(N)=O)c4[nH]ccc34)C[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6052024
Phase Preclinical
Structure Type MOL
InChI Key GGECQQMTKQRFHM-HZMBPMFUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
1.10
ALogP
3
HBA
2
HBD
82.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O2
MW 310.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.21

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase BTK IC50 = 550.0 nM 6.26 Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) : The in-house BT... -

Data from ChEMBL 36 via Core Engine