Compound Detail
CHEMBL5894992
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2cc(-c3ccc(-c4ccc(CN5CCNCC5)cc4)cc3)c(Cl)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5894992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLXLGVVBKGZCCG-CXDXLJMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
547.1
MW (Da)
3.86
ALogP
7
HBA
3
HBD
91.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 CHEMBL2111345 | EC50 | 8.75 | 8.75 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 1.76 | nM | 8.75 | In Vitro pAMPK1 Kinase Activation Assay: Compound effect on AMPK enzyme activati... | - |
Data from ChEMBL 36 via Core Engine