Compound Detail
CHEMBL2385952
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O=C(O)c1cccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)c3ccccc32)c1
Basic Information
| ChEMBL ID | CHEMBL2385952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRGLJOMTFFOSAQ-KGENOOAVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.9
MW (Da)
6.52
ALogP
3
HBA
1
HBD
70.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 CHEMBL3038455 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 | EC50 | = | 4800.0 | nM | 5.32 | Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) after 2 hrs by... | 24900695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900695 | 10.1021/ml400028q | Unchecked | 2 |
| 24900695 | 10.1021/ml400028q | AMPK alpha2/beta1/gamma1 | 2 |
Data from ChEMBL 36 via Core Engine