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Compound Detail

CHEMBL378500

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CCOc1cc(NC(C)=O)nc(N)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378500
Phase Preclinical
Structure Type MOL
InChI Key KUPGKHLDORPQDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
0.89
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.79
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 C10H12N4O2
MW 220.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.53

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