Compound Detail
CHEMBL2147415
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Basic Information
| ChEMBL ID | CHEMBL2147415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLYYUOMSXIPPJS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.74
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.42 | 4.42 | 37700.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.38 | 4.38 | 41400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13100.0 | nM | 4.88 | Inhibition of NFkappaB activity transfected in HEK293 cells pretreated for 1 hr ... | 21800856 |
| Radical scavenging activity | IC50 | = | 37700.0 | nM | 4.42 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 21800856 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 41400.0 | nM | 4.38 | Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4... | 21800856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21800856 | 10.1021/np200343t | Mus musculus | 4 |
| 21800856 | 10.1021/np200343t | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 21800856 | 10.1021/np200343t | Unchecked | 2 |
| 21800856 | 10.1021/np200343t | Radical scavenging activity | 2 |
| 21800856 | 10.1021/np200343t | Prostaglandin G/H synthase 2 | 1 |
| 21800856 | 10.1021/np200343t | Prostaglandin E synthase | 1 |
| 21800856 | 10.1021/np200343t | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21800856 | 10.1021/np200343t | Peroxisome proliferator-activated receptor alpha | 1 |
| 21800856 | 10.1021/np200343t | Peroxisome proliferator-activated receptor gamma | 1 |
| 21800856 | 10.1021/np200343t | Glucocorticoid receptor | 1 |
| 21800856 | 10.1021/np200343t | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine