Compound Detail
CHEMBL4449777
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Basic Information
| ChEMBL ID | CHEMBL4449777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVEJZZXNTQJTJD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.7
MW (Da)
2.21
ALogP
4
HBA
2
HBD
96.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.07 | 6.07 | 850.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 850.0 | nM | 6.07 | Antitrypanosomal activity against Trypanosoma brucei brucei AnTat 1.9 trypomasti... | 32292551 |
| Leishmania infantum | EC50 | = | 10100.0 | nM | 5.0 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic... | 32292551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292551 | 10.1021/acsmedchemlett.9b00566 | HepG2 | 1 |
| 32292551 | 10.1021/acsmedchemlett.9b00566 | Trypanosoma brucei brucei | 1 |
| 32292551 | 10.1021/acsmedchemlett.9b00566 | Leishmania infantum | 1 |
| 32292551 | 10.1021/acsmedchemlett.9b00566 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine