Compound Detail
CHEMBL2391093
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Basic Information
| ChEMBL ID | CHEMBL2391093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTPLCTHILWKYBC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
3.89
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.18 | 4.18 | 66200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2160.0 | nM | 5.67 | Antimalarial activity against chloroquine-sensitive erythrocytic stage of Plasmo... | 23685569 |
| L6 | IC50 | = | 66200.0 | nM | 4.18 | Cytotoxicity against rat L6 cells assessed as growth inhibition after 70 hrs by ... | 23685569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23685569 | 10.1016/j.ejmech.2013.03.072 | No relevant target | 1 |
| 23685569 | 10.1016/j.ejmech.2013.03.072 | Unchecked | 1 |
| 23685569 | 10.1016/j.ejmech.2013.03.072 | L6 | 1 |
| 23685569 | 10.1016/j.ejmech.2013.03.072 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine