Compound Detail
CHEMBL4226632
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 | CHEMBL4226632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTSSOTGWHADUQL-TVNSMHFRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
4.95
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhodesain CHEMBL4188 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.22 | 5.22 | 5970.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.22 | 5.22 | 5970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhodesain | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Trypanosoma brucei rhodesain expressed in Pichia pastoris using Z-... | 29609908 |
| Trypanosoma brucei | EC50 | = | 5970.0 | nM | 5.22 | Antitrypanosomal activity against Trypanosoma brucei | 32527539 |
| Trypanosoma brucei | IC50 | = | 5970.0 | nM | 5.22 | Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms asses... | 29609908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29609908 | 10.1016/j.bmcl.2018.03.039 | Rhodesain | 3 |
| 32527539 | 10.1016/j.bmcl.2020.127217 | Rhodesain | 2 |
| 29609908 | 10.1016/j.bmcl.2018.03.039 | Trypanosoma brucei | 1 |
| 29609908 | 10.1016/j.bmcl.2018.03.039 | HepG2 | 1 |
| 29609908 | 10.1016/j.bmcl.2018.03.039 | Procathepsin L | 1 |
| 32527539 | 10.1016/j.bmcl.2020.127217 | Trypanosoma brucei | 1 |
| 32527539 | 10.1016/j.bmcl.2020.127217 | HepG2 | 1 |
| 32527539 | 10.1016/j.bmcl.2020.127217 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine