Compound Detail
CHEMBL288650
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
CCOC(=O)c1ccc(COc2ccc(C(=O)/C=C/c3cc(-c4cccs4)ccc3OC)cc2OC)cc1
Basic Information
| ChEMBL ID | CHEMBL288650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUIYTCDCINSPOB-SDNWHVSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
7.08
ALogP
7
HBA
0
HBD
71.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor receptor superfamily member 1A CHEMBL3378 | IC50 | 5.4 | 5.4 | 4000.0 | 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 | = | 4000.0 | nM | 5.4 | 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