Compound Detail
CHEMBL49709
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Basic Information
| ChEMBL ID | CHEMBL49709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRDBCZARKZPMCD-LSDHQDQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.72
ALogP
8
HBA
2
HBD
98.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 63.1 | nM | 7.2 | In vitro calcium antagonist activity was assessed against calcium induced constr... | 2943898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2943898 | 10.1021/jm00159a022 | NON-PROTEIN TARGET | 1 |
| 2943898 | 10.1021/jm00159a022 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine