Compound Detail
CHEMBL29772
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Basic Information
| ChEMBL ID | CHEMBL29772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJHOJDWHEHQATH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.19
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 300.0 | nM | 6.52 | Agonist activity in guinea pig ileum preparation | 6207298 |
| Mus musculus | IC50 | = | 300.0 | nM | 6.52 | Antagonist activity in mouse vas deferens preparation. | 6207298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6207298 | 10.1021/jm00376a026 | Mus musculus | 5 |
| 6207298 | 10.1021/jm00376a026 | Unchecked | 4 |
| 6207298 | 10.1021/jm00376a026 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine