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Compound Detail

CHEMBL5849202

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C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc4c(c3)OCCOCCOCCO4)ncc2F)C1

Basic Information

ChEMBL ID CHEMBL5849202
Phase Preclinical
Structure Type MOL
InChI Key KWYIQYSIXKBGBV-GOSISDBHSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
2.75
ALogP
9
HBA
2
HBD
107.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30FN5O5
MW 487.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.28

Activity Summary

IC50 4 meas. best 8.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytoplasmic tyrosine-protein kinase BMX
CHEMBL3834
IC50 8.07 8.07 8.5 2
Tyrosine-protein kinase BTK
CHEMBL5251
IC50 7.13 7.13 73.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine