Compound Detail
CHEMBL1802553
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Basic Information
| ChEMBL ID | CHEMBL1802553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKLWNNWVVPIILJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.79
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2270.0 | nM | 5.64 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 infec... | 21644541 |
| L6 | IC50 | = | 11900.0 | nM | 4.92 | Cytotoxicity at rat L6 cells after 72 hrs by microplate alamar blue assay | 21644541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21644541 | 10.1021/jm200227r | No relevant target | 1 |
| 21644541 | 10.1021/jm200227r | Plasmodium falciparum | 1 |
| 21644541 | 10.1021/jm200227r | L6 | 1 |
| 21644541 | 10.1021/jm200227r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine