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Compound Detail

CHEMBL211756

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COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211756
Phase Preclinical
Structure Type MOL
InChI Key JYRNUSZDFUPATQ-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
2.52
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.66
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 C17H13ClN2O4
MW 344.75
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
16698266 10.1016/j.bmcl.2006.04.042 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine