Compound Detail
CHEMBL138689
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 | CHEMBL138689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYUHMYFZWTWSOT-WAZJJAFTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
2.10
ALogP
6
HBA
6
HBD
144.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.3 | nM | 8.2 | Immunosuppressive activity on mouse allogenic MLR in vitro | 8893839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893839 | 10.1021/jm960391l | Rattus norvegicus | 3 |
| 8893839 | 10.1021/jm960391l | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine