Compound Detail
CHEMBL492268
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Basic Information
| ChEMBL ID | CHEMBL492268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDMZOVRFEOHISK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.8
MW (Da)
2.13
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 340.0 | nM | 6.47 | Negative inotropic activity in guinea pig left atrium assessed as decrease in at... | 18754582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18754582 | 10.1021/jm800151n | NON-PROTEIN TARGET | 3 |
| 18754582 | 10.1021/jm800151n | Ileum | 1 |
| 18754582 | 10.1021/jm800151n | Aorta | 1 |
| 24835984 | 10.1016/j.bmcl.2014.04.089 | Retinol-binding protein 4 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine