Compound Detail
CHEMBL331162
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Basic Information
| ChEMBL ID | CHEMBL331162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVBNZFCOYSMFCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
0.60
ALogP
6
HBA
1
HBD
72.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 17000.0 | nM | 4.77 | Concentration required to inhibit Antigen-induced release of Histamine from rat ... | 2579236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2579236 | 10.1021/jm00381a016 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine