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Compound Detail

CHEMBL572562

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Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(Cl)cc21

Basic Information

ChEMBL ID CHEMBL572562
Phase Preclinical
Structure Type MOL
InChI Key SQISXLYGNHYPKD-QPEQYQDCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
3.49
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O3
MW 330.77
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.19

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase ZAP-70
CHEMBL2803
IC50 5.14 5.14 7200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase ZAP-70 IC50 = 7200.0 nM 5.14 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