Compound Detail
CHEMBL5419481
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Basic Information
| ChEMBL ID | CHEMBL5419481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COVOZZAUNPLIGT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.60
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-87 MG CHEMBL614247 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-87 MG | IC50 | = | 100000.0 | nM | 4.0 | Anti-proliferative activity against human U-87 MG cells assessed as cell viabili... | 37861443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37861443 | 10.1021/acs.jmedchem.3c01090 | U-87 MG | 1 |
| 37861443 | 10.1021/acs.jmedchem.3c01090 | GL261 | 1 |
Data from ChEMBL 36 via Core Engine