Compound Detail
CHEMBL5795930
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OCC1(CO)CCN(Cc2ccc(-c3ccc(-c4cc5nc(O[C@@H]6CO[C@H]7[C@@H]6OC[C@H]7O)[nH]c5cc4Cl)cc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5795930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVRFRHQBFWVLQS-OMRVPHBLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
606.1
MW (Da)
4.02
ALogP
8
HBA
4
HBD
120.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.07
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 | 9.07 | 9.07 | 0.8 | 2 |
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 | = | 0.85 | nM | 9.07 | In Vitro pAMPK1 Kinase Activation Assay: Compound effect on AMPK enzyme activati... | - |
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | EC50 | = | 0.85 | nM | 9.07 | In Vitro pAMPK1 Kinase Activation Assay: Compound effect on AMPK enzyme activati... | - |
Data from ChEMBL 36 via Core Engine