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Compound Detail

CHEMBL2386121

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CC(C)/C(=C1\C(=O)N(Cc2cccc(C(=O)O)c2)c2ccccc21)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386121
Phase Preclinical
Structure Type MOL
InChI Key OXQOQYXJZXMGOQ-WCWDXBQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.50
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23NO3
MW 397.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
24900695 10.1021/ml400028q AMPK alpha2/beta1/gamma1 2

Data from ChEMBL 36 via Core Engine