Compound Detail
CHEMBL296777
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 | CHEMBL296777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REOKINLHCZMXNQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
4.49
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.26 | 4.8575 | 5500.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 5500.0 | nM | 5.26 | In vitro growth inhibitory activity against Trypanosoma brucei strain K243 (As-1... | 11412992 |
| Trypanosoma brucei | IC50 | = | 16500.0 | nM | 4.78 | In vitro growth inhibitory activity against Trypanosoma brucei strain K269 | 11412992 |
| Trypanosoma brucei | IC50 | = | 18500.0 | nM | 4.73 | In vitro growth inhibitory activity against Trypanosoma brucei strain K243 | 11412992 |
| Trypanosoma brucei | IC50 | = | 22000.0 | nM | 4.66 | In vitro growth inhibitory activity against Trypanosoma brucei strain LAB110 | 11412992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Trypanosoma brucei | 4 |
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Encephalitozoon cuniculi | 1 |
Data from ChEMBL 36 via Core Engine