Compound Detail
CHEMBL3415882
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 | CHEMBL3415882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKPLUMBAMQASC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
363.6
MW (Da)
5.39
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.46 | 5.46 | 3470.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.45 | 4.45 | 35890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 3470.0 | nM | 5.46 | Cytotoxicity against human HepG2 cells by MTT assay | 25747499 |
| NON-PROTEIN TARGET | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human HuCCa1 cells by MTT assay | 25747499 |
| A549 | IC50 | = | 35890.0 | nM | 4.45 | Cytotoxicity against human A549 cells by MTT assay | 25747499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25747499 | 10.1016/j.ejmech.2015.02.047 | Plasmodium falciparum | 4 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | HepG2 | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | NON-PROTEIN TARGET | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | A549 | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | MRC5 | 1 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | Unchecked | 1 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | MOLT-3 | 1 |
Data from ChEMBL 36 via Core Engine