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Compound Detail

CHEMBL3884764

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COc1ccc2[nH]cc(/C(C#N)=C(\N)c3cccnc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884764
Phase Preclinical
Structure Type MOL
InChI Key LUUWOTXLVLEYTC-VKAVYKQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.92
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.73
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 C17H14N4O
MW 290.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
27676471 10.1016/j.ejmech.2016.08.069 Unchecked 1
27676471 10.1016/j.ejmech.2016.08.069 Cyclin-dependent kinase 5/CDK5 activator 1 1
27676471 10.1016/j.ejmech.2016.08.069 Glycogen synthase kinase-3 1
27676471 10.1016/j.ejmech.2016.08.069 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
27676471 10.1016/j.ejmech.2016.08.069 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine