Compound Detail
CHEMBL3322104
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 | CHEMBL3322104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOEDRMVQJDTQEW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
3.90
ALogP
6
HBA
0
HBD
89.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.25 | 4.25 | 55800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 13600.0 | nM | 4.87 | Cytotoxicity against human PC3 cells after 48 hrs by MTT assay | 25088398 |
| A549 | IC50 | = | 55800.0 | nM | 4.25 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 25088398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25088398 | 10.1016/j.bmcl.2014.07.031 | NON-PROTEIN TARGET | 3 |
| 25088398 | 10.1016/j.bmcl.2014.07.031 | COLO 205 | 1 |
| 25088398 | 10.1016/j.bmcl.2014.07.031 | A549 | 1 |
Data from ChEMBL 36 via Core Engine