Compound Detail
CHEMBL5276463
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Basic Information
| ChEMBL ID | CHEMBL5276463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLNHXOJWCBELBN-NSCUHMNNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.28
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 5000.0 | nM | 5.3 | Anticancer activity against human HCT-116 cells assessed as cell growth inhibiti... | 32485531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32485531 | 10.1016/j.ejmech.2020.112356 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine