Compound Detail
CHEMBL1688230
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C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.O=P(O)(O)c1ccc(-c2cc(O)on2)o1
Basic Information
| ChEMBL ID | CHEMBL1688230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTEQDNKQYFKJOG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1739997 |
| Active Moiety | CHEMBL1739997 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
231.1
MW (Da)
0.44
ALogP
5
HBA
3
HBD
116.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-activated protein kinase, AMPK CHEMBL2096907 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-activated protein kinase, AMPK | EC50 | = | 6.3 | nM | 8.2 | Activation of human AMPK after 15 mins | 24900234 |
| Unchecked | EC50 | = | 21.0 | nM | 7.68 | Activation of rat AMPK after 15 mins | 24900234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900234 | 10.1021/ml100143q | Unchecked | 4 |
| 24900234 | 10.1021/ml100143q | Hepatocyte | 3 |
| 24900234 | 10.1021/ml100143q | AMP-activated protein kinase, AMPK | 2 |
| 24900234 | 10.1021/ml100143q | No relevant target | 1 |
| 24900234 | 10.1021/ml100143q | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine