Compound Detail
CHEMBL4078002
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Basic Information
| ChEMBL ID | CHEMBL4078002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEEMXVYHDPMVQJ-AYDFFVQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
1.04
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 120.0 | nM | 6.92 | Growth inhibition of human MDA-MB-231 cells after 72 hrs by alamar blue assay | 28001067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28001067 | 10.1021/acs.jnatprod.6b00759 | Unchecked | 1 |
| 28001067 | 10.1021/acs.jnatprod.6b00759 | MDA-MB-231 | 1 |
| 28001067 | 10.1021/acs.jnatprod.6b00759 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine