Compound Detail
CHEMBL2095053
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Basic Information
| ChEMBL ID | CHEMBL2095053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXUPFERUFJUKAY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.9
MW (Da)
5.42
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.36 | 6.25 | 442.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 442.0 | nM | 6.36 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
| Trypanosoma brucei brucei | IC50 | = | 730.0 | nM | 6.14 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as para... | 34095848 |
| HEK293 | IC50 | = | 10400.0 | nM | 4.98 | Cytotoxicity against human HEK293 cells assessed as reduction in cell viability ... | 34095848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
| 34095848 | 10.1039/d0md00277a | Trypanosoma brucei brucei | 1 |
| 34095848 | 10.1039/d0md00277a | HEK293 | 1 |
| 34095848 | 10.1039/d0md00277a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine