Compound Detail
CHEMBL61436
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Basic Information
| ChEMBL ID | CHEMBL61436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSOJJKZGFTXNMQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
5.54
ALogP
5
HBA
1
HBD
44.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
12
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 |
|---|---|---|---|---|---|
| Canis familiaris CHEMBL373 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Canis familiaris | IC50 | = | 13000.0 | nM | 4.89 | Concentration of the test compound required to inhibit the auto oxidative lipid ... | 12113815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113815 | 10.1016/s0960-894x(02)00322-0 | Rattus norvegicus | 1 |
| 12113815 | 10.1016/s0960-894x(02)00322-0 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine