Compound Detail
CHEMBL3133764
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Basic Information
| ChEMBL ID | CHEMBL3133764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPKKUOLLRBTWKX-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
1.98
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.51 | 5.455 | 3080.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3080.0 | nM | 5.51 | Antimicrobial activity against Plasmodium falciparum W2 after 72 hrs by LDH acti... | - |
| Plasmodium falciparum | IC50 | = | 3100.0 | nM | 5.51 | Antiplasmodial activity against Plasmodium falciparum W2 infected in human RBC a... | 26005918 |
| Plasmodium falciparum | IC50 | = | 3083.19 | nM | 5.51 | Antiplasmodial activity against Plasmodium falciparum W2 infected in human RBC a... | 26005918 |
| Plasmodium falciparum | IC50 | = | 4010.0 | nM | 5.4 | Antimicrobial activity against Plasmodium falciparum D6 after 72 hrs by LDH acti... | - |
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | Antiplasmodial activity against Plasmodium falciparum D6 infected in human RBC a... | 26005918 |
| Plasmodium falciparum | IC50 | = | 4008.67 | nM | 5.4 | Antiplasmodial activity against Plasmodium falciparum D6 infected in human RBC a... | 26005918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00097D | Unchecked | 6 |
| 26005918 | 10.1016/j.ejmech.2015.05.020 | Plasmodium falciparum | 4 |
| - | 10.1039/C3MD00097D | Leishmania donovani | 2 |
| - | 10.1039/C3MD00097D | Plasmodium falciparum | 2 |
| - | 10.1039/C3MD00097D | LLC-PK1 | 1 |
| - | 10.1039/C3MD00097D | Vero | 1 |
| - | 10.1039/C3MD00097D | HepG2 | 1 |
| 26048785 | 10.1016/j.bmcl.2015.05.034 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 26048785 | 10.1016/j.bmcl.2015.05.034 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine