Compound Detail
CHEMBL2442614
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Basic Information
| ChEMBL ID | CHEMBL2442614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLMDCFSHJNSZJD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.13
ALogP
8
HBA
2
HBD
146.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.13 | 5.13 | 7390.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.333 | hr | Mus musculus |
| T1/2 | 1.167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7390.0 | nM | 5.13 | Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxa... | 24012380 |
| L6 | IC50 | = | 20100.0 | nM | 4.7 | Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Ala... | 24012380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24012380 | 10.1016/j.bmc.2013.08.006 | Trypanosoma brucei brucei | 2 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Trypanosoma brucei rhodesiense | 2 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Liver | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Liver microsomes | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | L6 | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine