Compound Detail
CHEMBL1172221
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Basic Information
| ChEMBL ID | CHEMBL1172221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYSWJCBXINDJHG-SWLSCSKDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.3
MW (Da)
4.59
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 100.0 | nM | 7.0 | Negative inotropic activity against potassium-induced contraction in guinea pig ... | 20509610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20509610 | 10.1021/jm100298d | NON-PROTEIN TARGET | 3 |
| 20509610 | 10.1021/jm100298d | Aorta | 1 |
Data from ChEMBL 36 via Core Engine