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Compound Detail

CHEMBL571292

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COc1ccc(/C=C2\CC(=O)NC2=O)cc1

Basic Information

ChEMBL ID CHEMBL571292
Phase Preclinical
Structure Type MOL
InChI Key HMRMXHNSJSQSKA-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.13
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.60
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 C12H11NO3
MW 217.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
19904929 10.1021/jm901183d RAW264.7 1
- 10.1039/C0MD00234H Tyrosinase 1
26896709 10.1016/j.ejmech.2016.02.017 Epidermal growth factor receptor 1
26896709 10.1016/j.ejmech.2016.02.017 Dual specificity protein kinase CLK1 1
26896709 10.1016/j.ejmech.2016.02.017 Casein kinase II 1
26896709 10.1016/j.ejmech.2016.02.017 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
26896709 10.1016/j.ejmech.2016.02.017 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
26896709 10.1016/j.ejmech.2016.02.017 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
26896709 10.1016/j.ejmech.2016.02.017 Protein kinase C beta type 1

Data from ChEMBL 36 via Core Engine