Compound Detail
CHEMBL51567
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Basic Information
| ChEMBL ID | CHEMBL51567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKSDUCAEKHIKST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.33
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N9 CHEMBL613516 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N9 | IC50 | = | 800.0 | nM | 6.1 | 50% inhibition against TNF-alpha release in N9 cells in the supernatant | 12361395 |
| Rattus norvegicus | IC50 | = | 23700.0 | nM | 4.62 | Inhibitory activity against neutrophil degranulation by measuring the content of... | 12361395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361395 | 10.1021/jm020102v | Rattus norvegicus | 7 |
| 12361395 | 10.1021/jm020102v | RAW264.7 | 2 |
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 12361395 | 10.1021/jm020102v | N9 | 1 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine