Compound Detail
CHEMBL91455
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Basic Information
| ChEMBL ID | CHEMBL91455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQIFGRSJIPGQGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
5.98
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 350.0 | nM | 6.46 | Tested for concentration required to inhibit histamine -induced ileum contractio... | 7914928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7914928 | 10.1021/jm00043a009 | Mus musculus | 2 |
| 7914928 | 10.1021/jm00043a009 | Oryctolagus cuniculus | 1 |
| 7914928 | 10.1021/jm00043a009 | Rattus norvegicus | 1 |
| 7914928 | 10.1021/jm00043a009 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine