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Compound Detail

CHEMBL127506

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CC(C)(C)C(=O)/C=C1/C(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127506
Phase Preclinical
Structure Type MOL
InChI Key VGCBQOHGDJSUKU-CSKARUKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
2.64
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO2
MW 229.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
12930149 10.1021/jm0300983 Protein kinase Pfmrk 1

Data from ChEMBL 36 via Core Engine