Compound Detail
CHEMBL1617688
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Basic Information
| ChEMBL ID | CHEMBL1617688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXIDBHKWPOTQRS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.5
MW (Da)
2.63
ALogP
3
HBA
0
HBD
6.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 7.04 | 6.725 | 92.0 | 2 |
| Furin CHEMBL2611 | IC50 | 4.5 | 4.485 | 31460.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 92.0 | nM | 7.04 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
| Trypanosoma brucei brucei | IC50 | = | 390.0 | nM | 6.41 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
| Furin | IC50 | = | 31460.0 | nM | 4.5 | Inhibition of furin (unknown origin) | 34340303 |
| Furin | IC50 | = | 33790.0 | nM | 4.47 | Inhibition of furin (unknown origin) | 34340303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 2 |
| 34340303 | 10.1021/acs.jmedchem.1c00518 | Furin | 2 |
Data from ChEMBL 36 via Core Engine