Compound Detail
CHEMBL191917
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Basic Information
| ChEMBL ID | CHEMBL191917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XECCOMIMOJOGCO-WOUKDFQISA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
-1.25
ALogP
10
HBA
4
HBD
139.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.72 | 6.425 | 190.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 190.0 | nM | 6.72 | Antitrypanosomal activity against pentamidine-resistant bloodstream form of Tryp... | 17954686 |
| Trypanosoma brucei brucei | IC50 | = | 440.0 | nM | 6.36 | Antitrypanosomal activity against pentamidine and melarsoprol-resistant bloodstr... | 17954686 |
| Trypanosoma brucei brucei | IC50 | = | 450.0 | nM | 6.35 | Antitrypanosomal activity against diamidine and melarsoprol-resistant bloodstrea... | 17954686 |
| Trypanosoma brucei brucei | IC50 | = | 540.0 | nM | 6.27 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 17954686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17954686 | 10.1128/aac.00480-07 | Trypanosoma brucei brucei | 4 |
| 15911263 | 10.1016/j.bmcl.2005.03.107 | S-methyl-5'-thioadenosine phosphorylase | 3 |
| 17954686 | 10.1128/aac.00480-07 | Unchecked | 2 |
| 16539398 | 10.1021/jm0511379 | Trypanosoma brucei | 1 |
| 22924785 | 10.1021/jm300917h | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
Data from ChEMBL 36 via Core Engine