Compound Detail
CHEMBL3751875
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Basic Information
| ChEMBL ID | CHEMBL3751875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJWLFIVTEJVEJL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.34
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 5.19 | 5.13 | 6500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 6500.0 | nM | 5.19 | Anti-inflammatory activity in human THP1 cells assessed as inhibition of PMA-ind... | 26748696 |
| THP-1 | IC50 | = | 8500.0 | nM | 5.07 | Anti-inflammatory activity in human THP1 cells assessed as inhibition of PMA-ind... | 26748696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26748696 | 10.1016/j.bmcl.2015.12.078 | THP-1 | 2 |
| 26748696 | 10.1016/j.bmcl.2015.12.078 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine