Compound Detail
CHEMBL358287
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Basic Information
| ChEMBL ID | CHEMBL358287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIOIBLVIGXIOMG-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.97
ALogP
5
HBA
4
HBD
138.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.72 | 7.6933 | 19.0 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.08 | 7.08 | 83.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 13.0 | nM | 7.89 | Antitrypanosomal activity against Trypanosoma brucei brucei S427 after 72 hrs | 17517831 |
| Trypanosoma brucei rhodesiense | IC50 | = | 19.0 | nM | 7.72 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 17517831 |
| Trypanosoma brucei rhodesiense | IC50 | = | 21.0 | nM | 7.68 | In vitro inhibitory activity against T. b. rhodesiense | 14561095 |
| Trypanosoma brucei rhodesiense | IC50 | = | 21.0 | nM | 7.68 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... | 24012380 |
| Plasmodium falciparum | IC50 | = | 83.0 | nM | 7.08 | In vitro inhibitory activity against Plasmodium falciparum | 14561095 |
| Plasmodium falciparum | IC50 | = | 83.0 | nM | 7.08 | Antiplasmodial activity against Plasmodium falciparum K1 assessed as [3H]-hypoxa... | 24012380 |
| L6 | IC50 | = | 83000.0 | nM | 4.08 | Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Ala... | 24012380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19620327 | 10.1128/aac.00225-09 | Trypanosoma brucei rhodesiense | 9 |
| 19620327 | 10.1128/aac.00225-09 | Trypanosoma brucei brucei | 8 |
| 19620327 | 10.1128/aac.00225-09 | Trypanosoma brucei gambiense | 4 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Trypanosoma brucei rhodesiense | 4 |
| 17517831 | 10.1128/aac.00005-07 | Unchecked | 3 |
| 19620327 | 10.1128/aac.00225-09 | Unchecked | 3 |
| 14561095 | 10.1021/jm0302602 | Nucleic Acid | 2 |
| 14561095 | 10.1021/jm0302602 | Mus musculus | 2 |
| 14561095 | 10.1021/jm0302602 | Trypanosoma brucei rhodesiense | 1 |
| 14561095 | 10.1021/jm0302602 | Plasmodium falciparum | 1 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei brucei | 1 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei rhodesiense | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | L6 | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Plasmodium falciparum | 1 |
| 24012380 | 10.1016/j.bmc.2013.08.006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine