Compound Detail
CHEMBL5772530
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O=C(NCCCS(=O)(=O)O)c1ccc(-c2ccc(-c3nc4nc(O[C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)[nH]c4cc3Cl)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5772530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLBKKTUQAQEKTG-WMMXXEOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
615.1
MW (Da)
2.86
ALogP
9
HBA
4
HBD
173.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.21
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 | 9.21 | 9.21 | 0.6 | 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 | = | 0.62 | nM | 9.21 | In Vitro pAMPK1 Kinase Activation Assay: Compound effect on AMPK enzyme activati... | - |
Data from ChEMBL 36 via Core Engine