Compound Detail
CHEMBL3774969
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Basic Information
| ChEMBL ID | CHEMBL3774969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJOYJYVJHHDUKE-DBRKOABJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
-0.29
ALogP
7
HBA
3
HBD
154.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 4.0 | nM | 8.4 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay | 26859071 |
| K562 | IC50 | = | 310.0 | nM | 6.51 | Antiproliferative activity against human K562 cells after 72 hrs by MTT assay | 26859071 |
| HeLa | IC50 | = | 4080.0 | nM | 5.39 | Antiproliferative activity against human HeLa cells after 72 hrs by MTT assay | 26859071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26859071 | 10.1016/j.ejmech.2016.01.037 | K562 | 29 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | HT-29 | 1 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | MCF7 | 1 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | NON-PROTEIN TARGET | 1 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | Jurkat | 1 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | Raji | 1 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | HeLa | 1 |
| 26859071 | 10.1016/j.ejmech.2016.01.037 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine