Compound Detail
CHEMBL4853955
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Basic Information
| ChEMBL ID | CHEMBL4853955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSROPRVBFIMNDK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.74
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | Ki | 4.41 | 4.41 | 38800.0 | 1 |
| Microtubule-associated proteins 1A/1B light chain 3A CHEMBL4879518 | Ki | 4.35 | 4.35 | 44800.0 | 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 | Ki | = | 38800.0 | nM | 4.41 | Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by ti... | 33769048 |
| Microtubule-associated proteins 1A/1B light chain 3A | Ki | = | 44800.0 | nM | 4.35 | Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by ti... | 33769048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33769048 | 10.1021/acs.jmedchem.0c01564 | Microtubule-associated proteins 1A/1B light chain 3A | 2 |
| 33769048 | 10.1021/acs.jmedchem.0c01564 | Microtubule-associated proteins 1A/1B light chain 3B | 2 |
Data from ChEMBL 36 via Core Engine