Compound Detail
CHEMBL221531
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Basic Information
| ChEMBL ID | CHEMBL221531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUBXHAVUIDXILB-RMKNXTFCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
4.28
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.62 | 5.485 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2400.0 | nM | 5.62 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
| Plasmodium falciparum | IC50 | = | 4500.0 | nM | 5.35 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine