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Compound Detail

CHEMBL574385

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CNC(=O)c1cc(F)c(F)cc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl

Basic Information

ChEMBL ID CHEMBL574385
Phase Preclinical
Structure Type MOL
InChI Key UQETZOYIXIGUPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.9
MW (Da)
4.10
ALogP
8
HBA
3
HBD
100.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClF2N6O3
MW 504.93
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase ZAP-70
CHEMBL2803
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase ZAP-70 IC50 = 10000.0 nM 5.0 Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells 19674816

Literature References

PubMed DOI Target Context # Activities
19674816 10.1016/j.ejmech.2009.07.018 Tyrosine-protein kinase ZAP-70 1

Data from ChEMBL 36 via Core Engine