Compound Detail
CHEMBL2043264
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 | CHEMBL2043264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKRMEEDDZIGWDW-SNAWJCMRSA-N |
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
3.73
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.52 | 7.52 | 30.0 | 4 |
| A549 CHEMBL392 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 10.0 | nM | 8.0 | Cytotoxicity against human A2780 cells after 96 hrs by SRB assay | 22749392 |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human Lipo cells after 96 hrs by SRB assay | 22749392 |
| A549 | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human A549 cells after 96 hrs by SRB assay | 22749392 |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human A253 cells after 96 hrs by SRB assay | 22749392 |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human 850C cells after 96 hrs by SRB assay | 22749392 |
| NON-PROTEIN TARGET | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human 518A2 cells after 96 hrs by SRB assay | 22749392 |
| DLD-1 | IC50 | = | 40.0 | nM | 7.4 | Cytotoxicity against human DLD1 cells after 96 hrs by SRB assay | 22749392 |
| NIH3T3 | IC50 | = | 50.0 | nM | 7.3 | Cytotoxicity against mouse NIH/3T3 cells after 96 hrs by SRB assay | 22749392 |
| MCF7 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxicity against human MCF7 cells after 96 hrs by SRB assay | 22749392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22749392 | 10.1016/j.ejmech.2012.06.015 | NON-PROTEIN TARGET | 4 |
| 22749392 | 10.1016/j.ejmech.2012.06.015 | A2780 | 4 |
| 22749392 | 10.1016/j.ejmech.2012.06.015 | A549 | 2 |
| 22749392 | 10.1016/j.ejmech.2012.06.015 | NIH3T3 | 1 |
| 22749392 | 10.1016/j.ejmech.2012.06.015 | MCF7 | 1 |
| 22749392 | 10.1016/j.ejmech.2012.06.015 | DLD-1 | 1 |
Data from ChEMBL 36 via Core Engine