Compound Detail
CHEMBL2180244
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Basic Information
| ChEMBL ID | CHEMBL2180244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZXIWXPLEIVOLO-HDJSIYSDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
3.40
ALogP
6
HBA
3
HBD
105.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-435 CHEMBL614697 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-435 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human MDA-MB-435 cells incubated for 72 hrs by MTT assay | 23098137 |
| MCF7 | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human MCF7 cells incubated for 72 hrs by MTT assay | 23098137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23098137 | 10.1021/jm300667v | HEY | 1 |
| 23098137 | 10.1021/jm300667v | SK-BR-3 | 1 |
| 23098137 | 10.1021/jm300667v | MCF7 | 1 |
| 23098137 | 10.1021/jm300667v | HCT-116 | 1 |
| 23098137 | 10.1021/jm300667v | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine