Compound Detail
CHEMBL3318923
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3318923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLJVWWCJLCGBHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.43
ALogP
5
HBA
3
HBD
100.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.7 | 4.56 | 20100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 20100.0 | nM | 4.7 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei brucei... | 25007262 |
| Trypanosoma brucei brucei | IC50 | = | 38100.0 | nM | 4.42 | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei brucei... | 25007262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25007262 | 10.1021/jm500483b | Trypanosoma brucei brucei | 3 |
| 25007262 | 10.1021/jm500483b | Unchecked | 1 |
| 25007262 | 10.1021/jm500483b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine