Compound Detail
CHEMBL490311
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Basic Information
| ChEMBL ID | CHEMBL490311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFGUDCVYJGCIHR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.68
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.42 | 4.42 | 38400.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.24 | 4.24 | 57900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 38400.0 | nM | 4.42 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/IS-CL2D axenic a... | 16441066 |
| Trypanosoma brucei brucei | IC50 | = | 57900.0 | nM | 4.24 | Antitrypanosomal activity against Trypanosoma brucei brucei MITat 1.2 variant 22... | 16441066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16441066 | 10.1021/np0502600 | Leishmania donovani | 1 |
| 16441066 | 10.1021/np0502600 | Trypanosoma brucei brucei | 1 |
| 16441066 | 10.1021/np0502600 | Vero | 1 |
| 16441066 | 10.1021/np0502600 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine