Compound Detail
CHEMBL351458
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 | CHEMBL351458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXFVASICJATVNF-XYOKQWHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
3.50
ALogP
5
HBA
1
HBD
86.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 28000.0 | nM | 4.55 | In vitro inhibition of inducible vascular cell adhesion molecule-1 (VCAM-1) expr... | 12639572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639572 | 10.1016/s0960-894x(02)01033-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine