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Compound Detail

CHEMBL3092861

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Basic Information

ChEMBL ID CHEMBL3092861
Phase Preclinical
Structure Type MOL
InChI Key ASDQMECUMYIVBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
-1.03
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H15NO3
MW 149.19
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
23454515 10.1016/j.ejmech.2013.01.035 Unchecked 2
23454515 10.1016/j.ejmech.2013.01.035 Glycogen synthase kinase-3 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 3 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK4 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK3 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK2 1
23454515 10.1016/j.ejmech.2013.01.035 Dual specificity protein kinase CLK1 1
23454515 10.1016/j.ejmech.2013.01.035 CDK9/cyclin T1 1
23454515 10.1016/j.ejmech.2013.01.035 Cyclin-dependent kinase 5/CDK5 activator 1 1
23454515 10.1016/j.ejmech.2013.01.035 CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine