Compound Detail
CHEMBL478025
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Basic Information
| ChEMBL ID | CHEMBL478025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHRZFYOGIWNQHQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
4.44
ALogP
2
HBA
0
HBD
28.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.54 | 5.53 | 291.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 291.0 | nM | 6.54 | Inhibition of NOS in Sprague-Dawley rat brain by oxyhaemoglobin assay | 18805011 |
| Unchecked | IC50 | = | 30199.52 | nM | 4.52 | Inhibition of NOS in Sprague-Dawley rat brain by oxyhaemoglobin assay | 18805011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21665485 | 10.1016/j.bmc.2011.05.034 | Radical scavenging activity | 4 |
| 21665485 | 10.1016/j.bmc.2011.05.034 | NON-PROTEIN TARGET | 4 |
| 18805011 | 10.1016/j.bmc.2008.08.049 | Unchecked | 2 |
| 21665485 | 10.1016/j.bmc.2011.05.034 | Unchecked | 2 |
| 21868136 | 10.1016/j.ejmech.2011.08.008 | Unchecked | 2 |
| 21868136 | 10.1016/j.ejmech.2011.08.008 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine