Compound Detail
CHEMBL3297991
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Basic Information
| ChEMBL ID | CHEMBL3297991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZVPCVXIFFLROA-WDZFZDKYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
0.54
ALogP
8
HBA
1
HBD
95.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.06 | 4.06 | 87500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 35000.0 | nM | 4.46 | Antiproliferative activity against human MCF7 cells after 24 hrs by MTT assay | 24880230 |
| MDA-MB-231 | IC50 | = | 87500.0 | nM | 4.06 | Antiproliferative activity against human MDA-MB-231 cells after 24 hrs by MTT as... | 24880230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24880230 | 10.1016/j.ejmech.2014.05.042 | MCF7 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | MDA-MB-231 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | PC-3 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | HCT-116 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | U-937 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine