Compound Detail
CHEMBL3317782
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Basic Information
| ChEMBL ID | CHEMBL3317782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXEKORZHQBGDCN-FSJBWODESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.71
ALogP
5
HBA
4
HBD
110.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.92 | 4.505 | 12050.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 4.42 | 4.42 | 37800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 12050.0 | nM | 4.92 | Antioxidant activity assessed as DPPH free radical scavenging activity incubated... | 25069019 |
| Leishmania major | IC50 | = | 37800.0 | nM | 4.42 | Antileishmanial activity against Leishmania major JISH118 promastigotes infected... | 25069019 |
| No relevant target | IC50 | = | 82000.0 | nM | 4.09 | Antioxidant activity assessed as superoxide anion radical scavenging activity by... | 25069019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25069019 | 10.1016/j.ejmech.2014.07.078 | No relevant target | 3 |
| 25069019 | 10.1016/j.ejmech.2014.07.078 | Leishmania major | 1 |
| 25069019 | 10.1016/j.ejmech.2014.07.078 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine