Compound Detail
CHEMBL5563109
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Basic Information
| ChEMBL ID | CHEMBL5563109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWRGQCLNVZLPJO-QINSGFPZSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
2.81
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Ki 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | IC50 | 7.29 | 7.07 | 51.7 | 2 |
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | Ki | 4.06 | 4.06 | 86280.0 | 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 | = | 51.7 | nM | 7.29 | Inhibition of GST-tagged LC3B (unknown origin) using biotin-labeled LBP2 as subs... | 39010658 |
| Microtubule-associated proteins 1A/1B light chain 3B | IC50 | = | 140.0 | nM | 6.85 | Inhibition of N-terminal GST-tagged LC3B (unknown origin) measured for 18 hrs by... | 39010658 |
| Microtubule-associated proteins 1A/1B light chain 3B | Ki | = | 86280.0 | nM | 4.06 | Binding affinity to N-terminal GST-tagged LC3B (unknown origin) assessed as inhi... | 39010658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39010658 | 10.1021/acs.jmedchem.4c00898 | Microtubule-associated proteins 1A/1B light chain 3B | 5 |
| 39010658 | 10.1021/acs.jmedchem.4c00898 | Unchecked | 3 |
| 39010658 | 10.1021/acs.jmedchem.4c00898 | HeLa | 2 |
| 39010658 | 10.1021/acs.jmedchem.4c00898 | Microtubule-associated protein 1 light chain 3 alpha/Sequestosome-1 | 1 |
| 39010658 | 10.1021/acs.jmedchem.4c00898 | Microtubule-associated protein 1 light chain 3 beta/Sequestosome-1 | 1 |
| 39010658 | 10.1021/acs.jmedchem.4c00898 | Microtubule-associated protein 1 light chain 3 gamma/Sequestosome-1 | 1 |
Data from ChEMBL 36 via Core Engine