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Compound Detail

CHEMBL469775

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O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469775
Phase Preclinical
Structure Type MOL
InChI Key PAYSDIVTEWDIFN-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.2
MW (Da)
3.45
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.68
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 C16H10Cl2N2O2
MW 333.17
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.46

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