Compound Detail
CHEMBL2441915
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 | CHEMBL2441915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWHGBSSOMBBXCJ-WEVVVXLNSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.91
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.33 | 4.33 | 47300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.17 | 4.15 | 67500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 17400.0 | nM | 4.76 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 24080105 |
| LNCaP | IC50 | = | 47300.0 | nM | 4.33 | Cytotoxicity against human LNCAP cells assessed as reduction in cell viability a... | 24080105 |
| NON-PROTEIN TARGET | IC50 | = | 67700.0 | nM | 4.17 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 67500.0 | nM | 4.17 | Antiproliferative activity against human DU145 cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 78000.0 | nM | 4.11 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 27979593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27979593 | 10.1016/j.bmcl.2016.12.007 | NON-PROTEIN TARGET | 4 |
| 24080105 | 10.1016/j.bmc.2013.08.057 | LNCaP | 2 |
| 24080105 | 10.1016/j.bmc.2013.08.057 | Radical scavenging activity | 1 |
| 38746881 | 10.1021/acsmedchemlett.4c00099 | MDA-MB-231 | 1 |
| 38746881 | 10.1021/acsmedchemlett.4c00099 | Heme oxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine