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Compound Detail

CHEMBL470411

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O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(O)cc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470411
Phase Preclinical
Structure Type MOL
InChI Key ZSXQKWCTEKWDMA-LFYBBSHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)
2.87
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.56
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 C16H10Cl2N2O4
MW 365.17
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.94

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