Compound Detail
CHEMBL5285058
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Basic Information
| ChEMBL ID | CHEMBL5285058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPKLWRHHVIBYEO-KMKOMSMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.1
MW (Da)
4.12
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated proteins 1A/1B light chain 3B | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human LC3B expressed in Escherichia coli BL21 (DE3) | 37984298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36490325 | 10.1021/acs.jmedchem.2c00799 | Huntingtin | 1 |
| 36716420 | 10.1021/acs.jmedchem.2c01712 | Unchecked | 1 |
| 37984298 | 10.1016/j.ejmech.2023.115950 | Microtubule-associated proteins 1A/1B light chain 3B | 1 |
Data from ChEMBL 36 via Core Engine