Compound Detail
CHEMBL319204
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL319204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFSFSAADKAYVGD-XCVCLJGOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.2
MW (Da)
3.89
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-435 CHEMBL614697 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| MCF-10A CHEMBL614321 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| MCF-12A CHEMBL614322 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-435 | IC50 | = | 4500.0 | nM | 5.35 | Inhibitory activity against MDA-MB-435 human breast cell line | 12825923 |
| MCF7 | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory activity against Wt-MCF7 human breast cell line | 12825923 |
| MDA-MB-231 | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory activity against MDA-MB-231 human breast cell line | 12825923 |
| MCF-10A | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against MCF-10A human breast cell line | 12825923 |
| MCF-12A | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity against MCF-12A human breast cell line | 12825923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825923 | 10.1021/jm030213+ | MDA-MB-435 | 1 |
| 12825923 | 10.1021/jm030213+ | MDA-MB-231 | 1 |
| 12825923 | 10.1021/jm030213+ | MCF7 | 1 |
| 12825923 | 10.1021/jm030213+ | MCF-10A | 1 |
| 12825923 | 10.1021/jm030213+ | MCF-12A | 1 |
Data from ChEMBL 36 via Core Engine