Compound Detail
CHEMBL5082504
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CCOC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5082504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOZXHSFVBSKYHX-NTETXRHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
2.04
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 12000.0 | nM | 4.92 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 34288674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34288674 | 10.1021/acs.jmedchem.1c00628 | Cruzipain | 1 |
| 34288674 | 10.1021/acs.jmedchem.1c00628 | Trypanosoma brucei brucei | 1 |
| 34288674 | 10.1021/acs.jmedchem.1c00628 | Trypanosoma cruzi | 1 |
| 34288674 | 10.1021/acs.jmedchem.1c00628 | C2C12 | 1 |
| 34288674 | 10.1021/acs.jmedchem.1c00628 | Cytochrome P450 3A4 | 1 |
| 34288674 | 10.1021/acs.jmedchem.1c00628 | Cytochrome P450 2D6 | 1 |
| 34288674 | 10.1021/acs.jmedchem.1c00628 | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine