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Compound Detail

CHEMBL210826

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CCOc1nc(NC(C)=O)cc(C)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210826
Phase Preclinical
Structure Type MOL
InChI Key GRJHMMWMBVTJPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
1.62
ALogP
4
HBA
1
HBD
75.0
PSA (Ų)
0.84
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 C11H13N3O2
MW 219.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
16759099 10.1021/jm060199b Mitogen-activated protein kinase 8 1
16759099 10.1021/jm060199b Mitogen-activated protein kinase 9 1

Data from ChEMBL 36 via Core Engine