Compound Detail
CHEMBL36829
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 | CHEMBL36829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMEHWFUTPGZWDD-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.65
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor receptor superfamily member 1A CHEMBL3378 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor receptor superfamily member 1A | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of TNF-alpha-induced VCAM-1 expression | 15006393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006393 | 10.1016/j.bmcl.2004.01.021 | Tumor necrosis factor receptor superfamily member 1A | 1 |
| 15006393 | 10.1016/j.bmcl.2004.01.021 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine