Compound Detail
CHEMBL221740
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Basic Information
| ChEMBL ID | CHEMBL221740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTRMPTDLHDNYPK-VQHVLOKHSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.15
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.3 | 6.18 | 500.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.26 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 500.0 | nM | 6.3 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
| Plasmodium falciparum | IC50 | = | 880.0 | nM | 6.06 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Mus musculus | 1 |
| 16908136 | 10.1016/j.bmcl.2006.08.009 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine