Compound Detail
CHEMBL271656
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Basic Information
| ChEMBL ID | CHEMBL271656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYBBOPGDMBPTBF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
1.17
ALogP
6
HBA
4
HBD
151.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 1800.0 | nM | 5.75 | Antileishmanial activity against Leishmania donovani axenic amastigotes | 18006310 |
| L6 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against rat L6 cells | 18006310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18006310 | 10.1016/j.bmcl.2007.11.013 | Unchecked | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | Leishmania donovani | 1 |
| 18006310 | 10.1016/j.bmcl.2007.11.013 | L6 | 1 |
Data from ChEMBL 36 via Core Engine