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Compound Detail

CHEMBL512149

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O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512149
Phase Preclinical
Structure Type MOL
InChI Key MCBIFYMUYPHTEO-UXBLZVDNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.1
MW (Da)
4.76
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8Cl4N2O2
MW 402.06
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 15000.0 nM 4.82 Inhibition of Dyrk1 autophosphorylation 19282176

Literature References

PubMed DOI Target Context # Activities
19282176 10.1016/j.bmcl.2009.02.062 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine