Compound Detail
CHEMBL3314705
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Basic Information
| ChEMBL ID | CHEMBL3314705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOKIVZSWNDCWDJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.51
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.56 | 4.55 | 27500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 27500.0 | nM | 4.56 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells after 24 hrs by ... | 24963714 |
| RAW264.7 | IC50 | = | 28900.0 | nM | 4.54 | Inhibition of LPS-induced IL-1beta production in mouse RAW264.7 cells after 24 h... | 24963714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24963714 | 10.1021/np400831p | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine