Compound Detail
CHEMBL287855
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Basic Information
| ChEMBL ID | CHEMBL287855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGTKFVPIOWZSND-VAWYXSNFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.60
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of the production of Interleukin-1-beta from human peripheral blood m... | 8496911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727643 | 10.1016/j.bmcl.2012.05.112 | Staphylococcus aureus | 2 |
| 8496911 | 10.1021/jm00062a016 | Homo sapiens | 1 |
| - | 10.1007/s00044-012-0177-9 | Chitin synthase 3 | 1 |
Data from ChEMBL 36 via Core Engine