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Compound Detail

CHEMBL4083948

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CCOC(=O)Nc1ccc2ncc(-c3cccnc3)n2n1

Basic Information

ChEMBL ID CHEMBL4083948
Phase Preclinical
Structure Type MOL
InChI Key CEIVAPWZRJLAEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.36
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.80
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 C14H13N5O2
MW 283.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
27721154 10.1016/j.ejmech.2016.09.064 Unchecked 14
27721154 10.1016/j.ejmech.2016.09.064 Leishmania amazonensis 3
27721154 10.1016/j.ejmech.2016.09.064 SH-SY5Y 2
27721154 10.1016/j.ejmech.2016.09.064 CDK2/Cyclin A2 1
27721154 10.1016/j.ejmech.2016.09.064 Cyclin-dependent kinase 5/CDK5 activator 1 1
27721154 10.1016/j.ejmech.2016.09.064 CDK9/cyclin T1 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity protein kinase CLK1 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity protein kinase CLK2 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity protein kinase CLK3 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity protein kinase CLK4 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
27721154 10.1016/j.ejmech.2016.09.064 Dual specificity tyrosine-phosphorylation-regulated kinase 3 1

Data from ChEMBL 36 via Core Engine