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Compound Detail

CHEMBL469347

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COc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469347
Phase Preclinical
Structure Type MOL
InChI Key QEPLVSBEKYUSNE-IZZDOVSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
3.17
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12Cl2N2O4
MW 379.20
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.92

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