Compound Detail
CHEMBL196137
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Basic Information
| ChEMBL ID | CHEMBL196137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBEFWOVSMNHNGN-AATRIKPKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
2.13
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.29 | 4.29 | 51168.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 51168.18 | nM | 4.29 | Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... | 15911266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911266 | 10.1016/j.bmcl.2005.03.087 | Oryctolagus cuniculus | 2 |
| 17067159 | 10.1021/np060252z | KB | 2 |
| 17067159 | 10.1021/np060252z | A549 | 1 |
Data from ChEMBL 36 via Core Engine