Compound Detail
CHEMBL5422939
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Basic Information
| ChEMBL ID | CHEMBL5422939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIOOEKCKHDQQKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
4.98
ALogP
3
HBA
1
HBD
20.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 5.167 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 16.67 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 49.0 | nM | 7.31 | Antitrypanosomal activity against Trypanosoma brucei Lister 427 assessed as para... | 36695630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36695630 | 10.1021/acs.jmedchem.2c01767 | ADMET | 8 |
| 36695630 | 10.1021/acs.jmedchem.2c01767 | Cytochrome P450 3A4 | 2 |
| 36695630 | 10.1021/acs.jmedchem.2c01767 | Trypanosoma brucei | 1 |
| 36695630 | 10.1021/acs.jmedchem.2c01767 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine