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Compound Detail

CHEMBL2386124

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O=C1/C(=C(\c2ccccc2)c2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL2386124
Phase Preclinical
Structure Type MOL
InChI Key WJCHQNHAZNJMNW-CYYJNZCTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.9
MW (Da)
6.85
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H20ClNO
MW 421.93
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.79

Activity Summary

EC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AMPK alpha2/beta1/gamma1
CHEMBL3038455
EC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine