Compound Detail
CHEMBL4792246
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CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(CNC(N)=O)cc32)c1C
Basic Information
| ChEMBL ID | CHEMBL4792246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSSGLTYUJFFIAZ-PDGQHHTCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
2.36
ALogP
4
HBA
5
HBD
132.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 CHEMBL2116 | IC50 | 7.08 | 7.08 | 83.6 | 1 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-AMP-activated protein kinase catalytic subunit alpha-2 | IC50 | = | 83.6 | nM | 7.08 | Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as ... | 32334266 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 | IC50 | = | 205.0 | nM | 6.69 | Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as ... | 32334266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32334266 | 10.1016/j.ejmech.2020.112316 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | 1 |
| 32334266 | 10.1016/j.ejmech.2020.112316 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine