Compound Detail
CHEMBL4111083
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O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1nc2nc(-c3ccc(-c4ccc(C5CNCCO5)cc4)cc3)c(Cl)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL4111083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVKPOUHOEFKASA-YZIGLVHXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.0
MW (Da)
3.51
ALogP
8
HBA
3
HBD
110.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 CHEMBL3038455 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMPK alpha2/beta1/gamma1 | EC50 | = | 1.0 | nM | 9.0 | In Vitro AMPK Activation Assay: The in vitro AMPK activation assay is performed ... | - |
| Unchecked | EC50 | = | 1.0 | nM | 9.0 | In Vitro AMPK Activation Assay: The in vitro AMPK activation assay is performed ... | - |
Data from ChEMBL 36 via Core Engine