Compound Detail
CHEMBL93314
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 | CHEMBL93314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZCGKQMRILFDHT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL40258 |
| Active Moiety | CHEMBL40258 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.7
MW (Da)
4.48
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.91 | 4.865 | 12300.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 12300.0 | nM | 4.91 | Compound was evaluated for growth brucei K269 strain. | - |
| Trypanosoma brucei | IC50 | = | 13000.0 | nM | 4.89 | Compound was evaluated for growth brucei K243 As-10-3 strain. | - |
| Trypanosoma brucei | IC50 | = | 14500.0 | nM | 4.84 | Compound was evaluated for growth brucei LAB 110 strain. | - |
| Trypanosoma brucei | IC50 | = | 15100.0 | nM | 4.82 | Compound was evaluated for growth brucei K243 strain. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00510-0 | Trypanosoma brucei | 4 |
Data from ChEMBL 36 via Core Engine