Compound Detail
CHEMBL2441894
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Basic Information
| ChEMBL ID | CHEMBL2441894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLSSKXJKINWGFQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.2
MW (Da)
2.98
ALogP
6
HBA
0
HBD
94.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.38 | 4.38 | 41200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 14000.0 | nM | 4.85 | Antimicrobial activity against Leishmania donovani MHOM/IN/00/DEVI promastigotes... | 24080103 |
| Plasmodium falciparum | IC50 | = | 41200.0 | nM | 4.38 | Antiplasmodial activity against Plasmodium falciparum K1 infected in human eryth... | 24080103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24080103 | 10.1016/j.bmc.2013.09.002 | Leishmania donovani | 2 |
| 24080103 | 10.1016/j.bmc.2013.09.002 | Unchecked | 2 |
| 24080103 | 10.1016/j.bmc.2013.09.002 | Plasmodium falciparum | 1 |
| 24080103 | 10.1016/j.bmc.2013.09.002 | Leishmania infantum | 1 |
| 24080103 | 10.1016/j.bmc.2013.09.002 | HepG2 | 1 |
| 24080103 | 10.1016/j.bmc.2013.09.002 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine