Compound Detail
CHEMBL467584
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Basic Information
| ChEMBL ID | CHEMBL467584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZRPOJGQEWLGMP-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
10
PK Parameters
10
Publications
0
Known Names
Molecular Properties
409.8
MW (Da)
6.00
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.0 | 7.48 | 1.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.6 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.2 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 2196246.86 | nM | Mus musculus |
| Cmax | 73208.23 | nM | Canis lupus familiaris |
| F | 20.0 | % | Mus musculus |
| F | 4.4 | % | Canis lupus familiaris |
| T1/2 | 24.1 | hr | Mus musculus |
| T1/2 | 143.0 | hr | Canis lupus familiaris |
| Vd | 1.2 | L.kg-1 | Mus musculus |
| Vd | 2.9 | L.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.0 | nM | 9.0 | Antimalarial activity against Plasmodium falciparum FCR3-A infected erythrocytes... | 18396855 |
| Plasmodium falciparum | IC50 | = | 5.0 | nM | 8.3 | Antimalarial activity against Plasmodium falciparum 3D7A infected erythrocytes b... | 18396855 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against Plasmodium falciparum T9-96 infected Rhesus positi... | 18396855 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity after 48 hrs against Plasmodium falciparum T9-96 by [3H]hy... | 19467600 |
| Plasmodium falciparum | IC50 | = | 42.0 | nM | 7.38 | Antimalarial activity against artemisinin-sensitive Plasmodium falciparum F32-TE... | 33636304 |
| Plasmodium falciparum | IC50 | = | 7000.0 | nM | 5.16 | Antimalarial activity against Plasmodium falciparum infected in A-positive human... | 21824778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21824778 | 10.1016/j.bmcl.2011.07.044 | No relevant target | 10 |
| 21824778 | 10.1016/j.bmcl.2011.07.044 | Mus musculus | 5 |
| 21824778 | 10.1016/j.bmcl.2011.07.044 | Canis familiaris | 5 |
| 18396855 | 10.1021/jm0705760 | Plasmodium falciparum | 4 |
| 33636304 | 10.1016/j.bmcl.2021.127884 | Plasmodium falciparum | 4 |
| 18396855 | 10.1021/jm0705760 | Plasmodium yoelii | 2 |
| 19467600 | 10.1016/j.bmcl.2009.05.017 | Plasmodium falciparum | 1 |
| 21824778 | 10.1016/j.bmcl.2011.07.044 | Plasmodium falciparum | 1 |
| 33636304 | 10.1016/j.bmcl.2021.127884 | Vero | 1 |
| 33636304 | 10.1016/j.bmcl.2021.127884 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine