Compound Detail
CHEMBL3121246
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 | CHEMBL3121246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDJZPCLLOPNECJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
3.05
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9120.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.22 | 4.14 | 60280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9120.0 | nM | 5.04 | Inhibition of recombinant Plasmodium falciparum falcipain 2 after 30 mins by flu... | 24530004 |
| Plasmodium falciparum | IC50 | = | 60280.0 | nM | 4.22 | Antiplasmodial activity against chloroquine-sensitive blood stage Plasmodium fal... | 24530004 |
| Plasmodium falciparum | IC50 | = | 86750.0 | nM | 4.06 | Antiplasmodial activity against chloroquine-resistant blood stage Plasmodium fal... | 24530004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24530004 | 10.1016/j.bmcl.2014.01.074 | Plasmodium falciparum | 2 |
| 24530004 | 10.1016/j.bmcl.2014.01.074 | Unchecked | 1 |
| - | 10.1039/C0MD00245C | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine