Compound Detail
CHEMBL1290347
RETUSIN 7-METHYL ETHER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1290347 |
| Name | RETUSIN 7-METHYL ETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRCYPDDIDYVEIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.29 | 4.29 | 50850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 50850.0 | nM | 4.29 | Anti-neuroinflammatory activity against mouse BV2 cells assessed as inhibition o... | 25466192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20800321 | 10.1016/j.ejmech.2010.08.016 | Radical scavenging activity | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine