Compound Detail
CHEMBL4791157
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Basic Information
| ChEMBL ID | CHEMBL4791157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIYFOHBNNQFOMK-FNORWQNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
3.42
ALogP
8
HBA
1
HBD
86.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells measur... | 32208222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32208222 | 10.1016/j.ejmech.2020.112216 | Mus musculus | 13 |
| 32208222 | 10.1016/j.ejmech.2020.112216 | RAW264.7 | 3 |
| 32208222 | 10.1016/j.ejmech.2020.112216 | Rattus norvegicus | 3 |
| 32208222 | 10.1016/j.ejmech.2020.112216 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine