Compound Detail
CHEMBL1907447
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Basic Information
| ChEMBL ID | CHEMBL1907447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAOBLCHOHKAJSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
6.35
ALogP
5
HBA
1
HBD
43.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 290.0 | nM | 6.54 | Inhibition of IL-1beta-induced PGE2 production in human HCA-7 cells after 72 hrs... | 22516282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22516282 | 10.1016/j.bmcl.2012.03.013 | Prostaglandin G/H synthase 2 | 2 |
| 22516282 | 10.1016/j.bmcl.2012.03.013 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine