Compound Detail
CHEMBL74945
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Basic Information
| ChEMBL ID | CHEMBL74945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFUMQDJDHRXEDP-VOTSOKGWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
2.30
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.44 | 5.44 | 3630.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 3630.78 | nM | 5.44 | 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 |
| 12161116 | 10.1016/s0960-894x(02)00428-6 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine