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Compound Detail

CHEMBL324576

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COc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL324576
Phase Preclinical
Structure Type MOL
InChI Key ZSQUZDKVWBHHOK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
3.14
ALogP
9
HBA
1
HBD
90.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O4
MW 423.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase ZAP-70
CHEMBL2803
IC50 6.37 6.37 424.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10612598 10.1016/s0960-894x(99)00615-0 Tyrosine-protein kinase ZAP-70 1

Data from ChEMBL 36 via Core Engine