Compound Detail
CHEMBL402528
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 | CHEMBL402528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCXMGPNELNHROM-AWEZNQCLSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.11
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.23 | 5.1433 | 5900.0 | 3 |
| HT-1080 CHEMBL614580 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 5600.0 | nM | 5.25 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 18440233 |
| NON-PROTEIN TARGET | IC50 | = | 5900.0 | nM | 5.23 | Cytotoxicity against mouse colon 26-L5 cells after 72 hrs by MTT assay | 18440233 |
| NON-PROTEIN TARGET | IC50 | = | 6700.0 | nM | 5.17 | Cytotoxicity against mouse B16-BL6 cells after 72 hrs by MTT assay | 18440233 |
| HT-1080 | IC50 | = | 7900.0 | nM | 5.1 | Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay | 18440233 |
| A549 | IC50 | = | 8600.0 | nM | 5.07 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 18440233 |
| NON-PROTEIN TARGET | IC50 | = | 9300.0 | nM | 5.03 | Cytotoxicity against mouse LLC cells after 72 hrs by MTT assay | 18440233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440233 | 10.1016/j.bmc.2008.04.016 | NON-PROTEIN TARGET | 3 |
| 17950610 | 10.1016/j.bmc.2007.10.004 | PANC-1 | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | A549 | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | HeLa | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine