Compound Detail
CHEMBL2441171
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Basic Information
| ChEMBL ID | CHEMBL2441171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQPNEBYWCXISEW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.85
ALogP
5
HBA
1
HBD
67.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1900.0 | nM | 5.72 | Antiplasmodial activity against chloroquine-sensitive asexual erythrocytic stage... | 24373723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24075144 | 10.1016/j.bmc.2013.08.048 | Mycobacterium tuberculosis | 3 |
| 24373723 | 10.1016/j.bmcl.2013.12.022 | Liver microsome | 2 |
| 24075144 | 10.1016/j.bmc.2013.08.048 | Vero | 1 |
| 24373723 | 10.1016/j.bmcl.2013.12.022 | ADMET | 1 |
| 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