Compound Detail
CHEMBL87041
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Basic Information
| ChEMBL ID | CHEMBL87041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOCGDONUGSBCCV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
4.09
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.71 | 4.59 | 19380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 19380.0 | nM | 4.71 | Compound was tested for its inhibitory concentration against formation of lipid ... | 12182869 |
| Rattus norvegicus | IC50 | = | 34200.0 | nM | 4.47 | Neuroprotective action was estimated in terms of its inhibitory concentration ag... | 12182869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182869 | 10.1016/s0960-894x(02)00479-1 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine