Compound Detail
CHEMBL2376693
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Basic Information
| ChEMBL ID | CHEMBL2376693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVDSDTVEVIGEEH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
5.54
ALogP
2
HBA
3
HBD
61.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.12 | 4.095 | 75000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 75000.0 | nM | 4.12 | Antileishmanial activity against axenic amastigote of Leishmania donovani after ... | 23517732 |
| Leishmania donovani | IC50 | = | 85950.0 | nM | 4.07 | Antileishmanial activity against promastigote of Leishmania donovani after 72 hr... | 23517732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Leishmania donovani | 4 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Vero | 1 |
Data from ChEMBL 36 via Core Engine