Compound Detail
CHEMBL379632
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Basic Information
| ChEMBL ID | CHEMBL379632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DETXPBJUMKNYDY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
1.50
ALogP
4
HBA
0
HBD
54.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 7.18 | 6.79 | 66.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 66.0 | nM | 7.18 | Negative inotropic activity in guinea pig left ventricular papillary muscle | 16913709 |
| Cavia porcellus | EC50 | = | 400.0 | nM | 6.4 | Negative inotropic activity in guinea pig left atrium | 16913709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913709 | 10.1021/jm0604373 | Cavia porcellus | 13 |
Data from ChEMBL 36 via Core Engine