Compound Detail
CHEMBL3622701
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CCOC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)Nc2c(N)nc(N)[nH]c2=O)cc1)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL3622701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSZFYELEUBJXTR-ZDUSSCGKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
0.58
ALogP
10
HBA
6
HBD
220.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 92000.0 | nM | 4.04 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei 427... | 26322631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26322631 | 10.1021/acs.jmedchem.5b00687 | Unchecked | 2 |
| 26322631 | 10.1021/acs.jmedchem.5b00687 | Trypanosoma brucei brucei | 2 |
| 26322631 | 10.1021/acs.jmedchem.5b00687 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine