Compound Detail
CHEMBL544367
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Basic Information
| ChEMBL ID | CHEMBL544367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSSWJECNIIKMBG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193028 |
| Active Moiety | CHEMBL1193028 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.8
MW (Da)
3.34
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 1520.0 | nM | 5.82 | Inhibition of the Schulz-Dale (SD) reaction-induced contraction in trachea of gu... | 1331454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331454 | 10.1021/jm00100a009 | Cavia porcellus | 2 |
| 1331454 | 10.1021/jm00100a009 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine