Compound Detail
CHEMBL4632583
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Basic Information
| ChEMBL ID | CHEMBL4632583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMDPHCWIIZVEIN-CPNJWEJPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.58
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RecQ-like DNA helicase BLM | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed i... | 32697083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32697083 | 10.1021/acs.jmedchem.0c00917 | RecQ-like DNA helicase BLM | 4 |
| 32697083 | 10.1021/acs.jmedchem.0c00917 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine