Compound Detail
CHEMBL7054
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Basic Information
| ChEMBL ID | CHEMBL7054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDKOSPKTKADBCU-GKCIPKSASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.95
ALogP
6
HBA
3
HBD
92.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 13900.0 | nM | 4.86 | Inhibitory effect of compound on the accumulation of NO2 in the culture media of... | 15013012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Rattus norvegicus | 2 |
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Mus musculus | 2 |
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Beta-glucuronidase | 1 |
| 15013012 | 10.1016/j.bmcl.2003.11.074 | Lysozyme C | 1 |
Data from ChEMBL 36 via Core Engine