Compound Detail
CHEMBL1652075
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Basic Information
| ChEMBL ID | CHEMBL1652075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKEVBAAYDGBCRS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
4.14
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SF-295 CHEMBL614908 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SF-295 | IC50 | = | 14600.0 | nM | 4.84 | Cytotoxicity against human SF295 cells after 72 hrs by MTT assay | 21115213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21115213 | 10.1016/j.ejmech.2010.11.006 | PBMC | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | HL-60 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | MDA-MB-435 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | HCT-8 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | SF-295 | 1 |
Data from ChEMBL 36 via Core Engine