Compound Detail
CHEMBL4175081
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Basic Information
| ChEMBL ID | CHEMBL4175081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUXJSHUHXIBHJM-KMKOMSMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
3.01
ALogP
4
HBA
2
HBD
62.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.17 | 5.17 | 6740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 6740.0 | nM | 5.17 | Cytotoxicity against human HL60 cells assessed as reduction in cell viability af... | 28531811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28531811 | 10.1016/j.ejmech.2017.05.012 | Calf thymus DNA | 4 |
| 28531811 | 10.1016/j.ejmech.2017.05.012 | HL-60 | 1 |
| 28531811 | 10.1016/j.ejmech.2017.05.012 | K562 | 1 |
| 28531811 | 10.1016/j.ejmech.2017.05.012 | T47D | 1 |
| 28531811 | 10.1016/j.ejmech.2017.05.012 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine