Compound Detail
CHEMBL205356
INOSCAVIN C Enter ChEMBL ID:
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CC(=O)c1c(-c2ccc(O)c(O)c2)oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c12
Basic Information
| ChEMBL ID | CHEMBL205356 |
| Name | INOSCAVIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKRPUELQNBGEIC-GORDUTHDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
4.25
ALogP
8
HBA
4
HBD
141.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 7800.0 | nM | 5.11 | ABTS radical scavenging activity | 16488146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16488146 | 10.1016/j.bmcl.2006.01.121 | Radical scavenging activity | 3 |
Data from ChEMBL 36 via Core Engine