Compound Detail
CHEMBL4438557
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Basic Information
| ChEMBL ID | CHEMBL4438557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFNWPGXAIVYVNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
3.11
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 3100.0 | nM | 5.51 | Antitrypanosomal activity against Trypanosoma brucei bloodstream form after 72 h... | 30996791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996791 | 10.1021/acsmedchemlett.8b00565 | Trypanosoma brucei | 2 |
| 30996791 | 10.1021/acsmedchemlett.8b00565 | THP-1 | 1 |
| 30996791 | 10.1021/acsmedchemlett.8b00565 | Unchecked | 1 |
| 30996791 | 10.1021/acsmedchemlett.8b00565 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 30996791 | 10.1021/acsmedchemlett.8b00565 | 786-0 | 1 |
Data from ChEMBL 36 via Core Engine