Compound Detail
CHEMBL87037
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Basic Information
| ChEMBL ID | CHEMBL87037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAYNNBVALISBIE-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.01
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.0 | 5.3443 | 100.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 100.0 | nM | 7.0 | Neuroprotective action was estimated in terms of its inhibitory concentration ag... | 12182869 |
| Rattus norvegicus | IC50 | = | 2400.0 | nM | 5.62 | Compound was evaluated for its inhibitory concentration against [Fe2+]/AA- induc... | 12182869 |
| Rattus norvegicus | IC50 | = | 2600.0 | nM | 5.58 | Compound was tested for its inhibitory concentration against formation of lipid ... | 12182869 |
| Rattus norvegicus | IC50 | = | 3300.0 | nM | 5.48 | Compound was evaluated for its inhibitory concentration against X/XO- induced ox... | 12182869 |
| Rattus norvegicus | IC50 | = | 6030.0 | nM | 5.22 | Compound was evaluated for its inhibitory concentration against hydrogen peroxid... | 12182869 |
| Rattus norvegicus | IC50 | = | 31000.0 | nM | 4.51 | Compound was tested for its DPPH radical scavenging activity in rat brain homoge... | 12182869 |
| Rattus norvegicus | IC50 | = | 100000.0 | nM | 4.0 | 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 | 7 |
Data from ChEMBL 36 via Core Engine