Compound Detail
CHEMBL4762697
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Basic Information
| ChEMBL ID | CHEMBL4762697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDKAMYKUYQKERI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
3.56
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 500.0 | nM | 6.3 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 strain bl... | 27548560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma brucei brucei | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma cruzi | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine