Compound Detail
CHEMBL2071233
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Basic Information
| ChEMBL ID | CHEMBL2071233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBSWMSHOSJMLMV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.73
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania major CHEMBL612879 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania major | IC50 | = | 93000.0 | nM | 4.03 | Antileishmanial activity against Leishmania major promastigotes incubated for 48... | 22858297 |
| RAW264.7 | IC50 | = | 96000.0 | nM | 4.02 | Toxicity against mouse RAW264.7 cells by XTT assay | 22858297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858297 | 10.1016/j.bmc.2012.06.055 | Leishmania major | 1 |
| 22858297 | 10.1016/j.bmc.2012.06.055 | RAW264.7 | 1 |
| 22858297 | 10.1016/j.bmc.2012.06.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine