Compound Detail
CHEMBL257513
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Basic Information
| ChEMBL ID | CHEMBL257513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVFIYMSJDDGDBQ-FZZIBODNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.81
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5600.0 | nM | 5.25 | Antiinflammatory activity in C57BL6/J mouse BV2 cells assessed as inhibition of ... | 26110443 |
| BV-2 | IC50 | = | 11200.0 | nM | 4.95 | Inhibition of NO production in LPS-activated mouse BV2 cells by ELISA | 18276135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26081757 | 10.1016/j.bmc.2015.05.044 | AGS | 23 |
| 18276135 | 10.1016/j.bmcl.2007.12.076 | BV-2 | 6 |
| 26110443 | 10.1021/np500951s | NON-PROTEIN TARGET | 2 |
| 26081757 | 10.1016/j.bmc.2015.05.044 | HEK293 | 1 |
| 26081757 | 10.1016/j.bmc.2015.05.044 | MCF7 | 1 |
| 26081757 | 10.1016/j.bmc.2015.05.044 | DU-145 | 1 |
| 26081757 | 10.1016/j.bmc.2015.05.044 | DLD-1 | 1 |
| 26081757 | 10.1016/j.bmc.2015.05.044 | HeLa | 1 |
| 26110443 | 10.1021/np500951s | Mus musculus | 1 |
| 26110443 | 10.1021/np500951s | Coxsackievirus B3 | 1 |
Data from ChEMBL 36 via Core Engine