Compound Detail
CHEMBL4159088
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Basic Information
| ChEMBL ID | CHEMBL4159088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOCPEQUPCZNFGR-UXBLZVDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.21
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 4800.0 | nM | 5.32 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB... | 29975532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29975532 | 10.1021/acs.jnatprod.7b00938 | Neutrophil | 2 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | A549 | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | MDA-MB-231 | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine