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Compound Detail

CHEMBL73157

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O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL73157
Phase Preclinical
Structure Type MOL
InChI Key XKTUKRBLWOHYIL-MLPAPPSSSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

400.2
MW (Da)
5.02
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H11Cl2NO4
MW 400.22
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.64

Activity Summary

IC50 6 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK1
CHEMBL6006
IC50 7.89 7.26 13.0 3
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 7.4 7.4 40.0 1
Kinesin-like protein KIF15
CHEMBL3632454
IC50 6.12 6.105 750.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30528696 10.1016/j.bmcl.2018.12.008 Kinesin-like protein KIF15 14
38295689 10.1016/j.ejmech.2023.116117 Serine/threonine-protein kinase ULK1 2
10698440 10.1016/s0960-894x(99)00668-x RAF proto-oncogene serine/threonine-protein kinase 1
10698440 10.1016/s0960-894x(99)00668-x Unchecked 1
30528696 10.1016/j.bmcl.2018.12.008 Kinesin-like protein KIF11 1
30528696 10.1016/j.bmcl.2018.12.008 Kinesin-like protein KIFC1 1
30528696 10.1016/j.bmcl.2018.12.008 Kinesin-like protein KIF18A 1
30528696 10.1016/j.bmcl.2018.12.008 Aurora kinase A 1
38432059 10.1016/j.ejmech.2024.116273 Serine/threonine-protein kinase ULK1 1

Data from ChEMBL 36 via Core Engine