Compound Detail
CHEMBL121101
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Basic Information
| ChEMBL ID | CHEMBL121101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMEGDNKJWODAEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
1.81
ALogP
6
HBA
1
HBD
72.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 400.0 | nM | 6.4 | Concentration required to inhibit Antigen-induced release of Histamine from rat ... | 2579236 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of antigen-induced release of histamine (AIR) from rat peritoneal mas... | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2579236 | 10.1021/jm00381a016 | Rattus norvegicus | 3 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine