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Compound Detail

CHEMBL6001291

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CC(C)c1cc(-c2cccc(O)c2)c2c(N)nc(Nc3ccc(C(=O)N(C)C)cc3F)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6001291
Phase Preclinical
Structure Type MOL
InChI Key QTUYQHDTXZXWJK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
4.39
ALogP
7
HBA
3
HBD
108.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25FN6O2
MW 448.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein-tyrosine kinase 6
CHEMBL4601
 IC50 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein-tyrosine kinase 6 IC50 = 3.4 nM 8.47 Brk Inhibitory Activity Assay: Measurement of an inhibitory activity on Brk enzy... -

Data from ChEMBL 36 via Core Engine