Compound Detail
CHEMBL4108071
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O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(-c3ccc(-c4ccc(-n5cc(C(O)(O)C(F)(F)F)nn5)cc4)cc3)c(Cl)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL4108071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAQIMSSSZHUXFC-FAYOUJPWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
631.0
MW (Da)
3.13
ALogP
11
HBA
4
HBD
160.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 CHEMBL3038455 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 | EC50 | = | 2.0 | nM | 8.7 | In Vitro AMPK Activation Assay: The in vitro AMPK activation assay is performed ... | - |
| Unchecked | EC50 | = | 2.0 | nM | 8.7 | In Vitro AMPK Activation Assay: The in vitro AMPK activation assay is performed ... | - |
Data from ChEMBL 36 via Core Engine