Compound Detail
CHEMBL2314236
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Basic Information
| ChEMBL ID | CHEMBL2314236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHUYBUZSRKTHHM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
1.07
ALogP
6
HBA
6
HBD
122.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 610.0 | nM | 6.21 | Antiprotozoal activity against erythrocytic stages of Plasmodium falciparum K1 b... | 23265884 |
| Trypanosoma brucei rhodesiense | IC50 | = | 49000.0 | nM | 4.31 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB 900 after 72 ... | 23265884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265884 | 10.1016/j.bmcl.2012.11.072 | L6 | 2 |
| 23265884 | 10.1016/j.bmcl.2012.11.072 | Plasmodium falciparum | 1 |
| 23265884 | 10.1016/j.bmcl.2012.11.072 | Leishmania donovani | 1 |
| 23265884 | 10.1016/j.bmcl.2012.11.072 | Trypanosoma cruzi | 1 |
| 23265884 | 10.1016/j.bmcl.2012.11.072 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine