Compound Detail
CHEMBL136998
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL136998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIIYYMZOGKODQG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
155.1
MW (Da)
1.01
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 85000.0 | nM | 4.07 | Compound was evaluated for hydroxyl radical (OH) scavenging activity | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00048-0 | Unchecked | 2 |
| - | 10.1016/0960-894X(96)00048-0 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine