Compound Detail
CHEMBL81145
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Basic Information
| ChEMBL ID | CHEMBL81145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJJJSFCZVULSRX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.6
MW (Da)
3.31
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 75000.0 | nM | 4.12 | Ability to inhibit 50% growth of HeLa cells | 1875339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875339 | 10.1021/jm00112a016 | HeLa | 2 |
| 1875339 | 10.1021/jm00112a016 | Calf thymus DNA | 1 |
Data from ChEMBL 36 via Core Engine