Compound Detail
CHEMBL569157
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O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(OC(F)(F)F)c3)c1)C2
Basic Information
| ChEMBL ID | CHEMBL569157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXOIXDBXQQKNJD-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
4.33
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability incuba... | 33007723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007723 | 10.1016/j.ejmech.2020.112849 | Trypanosoma cruzi | 3 |
| 19928920 | 10.1021/jm901207n | Mycobacterium tuberculosis | 2 |
| 19928920 | 10.1021/jm901207n | Vero | 1 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | L6 | 1 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine