Compound Detail
CHEMBL2094361
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Basic Information
| ChEMBL ID | CHEMBL2094361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOKQCNDJCWGRCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
2.05
ALogP
4
HBA
1
HBD
65.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of BRD4 BD1 (unknown origin) using biotin labelled NeC: SGRG-K(Ac)-GG... | 30529546 |
| Trypanosoma brucei brucei | IC50 | = | 1310.0 | nM | 5.88 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30529546 | 10.1016/j.ejmech.2018.11.018 | Bromodomain-containing protein 4 | 2 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine