Compound Detail
CHEMBL131038
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Basic Information
| ChEMBL ID | CHEMBL131038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYHXPHQWWVANPB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
3.24
ALogP
7
HBA
0
HBD
84.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI CHEMBL614877 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI | IC50 | = | 10000.0 | nM | 5.0 | Complete inhibition of cell growth of 60-human tumor cell line detected by Natio... | 9986711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986711 | 10.1021/jm9804679 | HL-60 | 1 |
| 9986711 | 10.1021/jm9804679 | SCLC | 1 |
| 9986711 | 10.1021/jm9804679 | DNA topoisomerase II | 1 |
| 9986711 | 10.1021/jm9804679 | NCI | 1 |
Data from ChEMBL 36 via Core Engine