Compound Detail
CHEMBL519161
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Basic Information
| ChEMBL ID | CHEMBL519161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEHRPXLAFSFMSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
6.81
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 76.0 | nM | 7.12 | Inhibition of LPS-induced TNFalpha production in human THP1 cells | 19356929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19356929 | 10.1016/j.bmcl.2009.03.104 | Blood | 1 |
| 19356929 | 10.1016/j.bmcl.2009.03.104 | THP-1 | 1 |
| 19356929 | 10.1016/j.bmcl.2009.03.104 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine