Compound Detail
CHEMBL3104426
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 | CHEMBL3104426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHKURUXGGFGUAN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.18
ALogP
5
HBA
2
HBD
83.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 1400.0 | nM | 5.85 | Cytotoxicity against CHO cells by MTT assay | 24373723 |
| Plasmodium falciparum | IC50 | = | 35000.0 | nM | 4.46 | Antiplasmodial activity against chloroquine-sensitive asexual erythrocytic stage... | 24373723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24373723 | 10.1016/j.bmcl.2013.12.022 | Unchecked | 1 |
| 24373723 | 10.1016/j.bmcl.2013.12.022 | CHO | 1 |
| 24373723 | 10.1016/j.bmcl.2013.12.022 | Plasmodium falciparum | 1 |
| 24373723 | 10.1016/j.bmcl.2013.12.022 | No relevant target | 1 |
| 24373723 | 10.1016/j.bmcl.2013.12.022 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine