Compound Detail
CHEMBL221741
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Basic Information
| ChEMBL ID | CHEMBL221741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUCMFZOJKRASJO-SDNWHVSQSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.74
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
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 |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.04 | 5.02 | 9100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9100.0 | nM | 5.04 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
| Plasmodium falciparum | IC50 | = | 9100.0 | nM | 5.04 | Antimalarial activity after 24 hrs against chloroquine-sensitive Plasmodium falc... | 19250824 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falc... | 19250824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
| 18276134 | 10.1016/j.bmcl.2008.01.112 | Leishmania donovani | 2 |
| 19250824 | 10.1016/j.bmcl.2009.02.042 | Plasmodium falciparum | 2 |
| 19250824 | 10.1016/j.bmcl.2009.02.042 | Protein kinase Pfmrk | 1 |
| 19250824 | 10.1016/j.bmcl.2009.02.042 | Unchecked | 1 |
| 18930396 | 10.1016/j.bmcl.2008.09.105 | Low molecular weight protein-tyrosine phosphatase A | 1 |
| - | 10.1007/s00044-011-9602-8 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine