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Compound Detail

CHEMBL2386119

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CC(C)/C(=C1\C(=O)N(Cc2cccc(C(=O)O)c2)c2ccccc21)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386119
Phase Preclinical
Structure Type MOL
InChI Key JYNUCGGUAIPMJH-WCWDXBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
6.15
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.49
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 C26H22ClNO3
MW 431.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.81

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AMPK alpha2/beta1/gamma1
CHEMBL3038455
 EC50 5.0 5.0 9900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AMPK alpha2/beta1/gamma1 EC50 = 9900.0 nM 5.0 Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) after 2 hrs by... 24900695

Literature References

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

Data from ChEMBL 36 via Core Engine