Compound Detail
CHEMBL3622699
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 | CHEMBL3622699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZZXDKDHQHMYSE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
0.75
ALogP
7
HBA
5
HBD
165.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 89000.0 | nM | 4.05 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei 427... | 26322631 |
| THP-1 | IC50 | = | 97000.0 | nM | 4.01 | Cytotoxicity against macrophages differentiated from human THP1 cells assessed a... | 26322631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26322631 | 10.1021/acs.jmedchem.5b00687 | Unchecked | 2 |
| 26322631 | 10.1021/acs.jmedchem.5b00687 | Trypanosoma brucei brucei | 2 |
| 26322631 | 10.1021/acs.jmedchem.5b00687 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine