Compound Detail
CHEMBL293402
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Basic Information
| ChEMBL ID | CHEMBL293402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYIQRJMTAWESSU-VKAVYKQESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.98
ALogP
6
HBA
1
HBD
91.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
IC50 1 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.6607 | nM | 9.18 | Compound was tested for its antagonist activity against calcium channel | 2846838 |
| Cavia porcellus | EC50 | = | 15.85 | nM | 7.8 | Effective concentration required to produce mechanical response determined in mu... | 2846838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377225 | 10.1021/jm981114c | Voltage-gated L-type calcium channel | 1 |
| 10377225 | 10.1021/jm981114c | ADMET | 1 |
| 2846838 | 10.1021/jm00119a009 | Cavia porcellus | 1 |
| 2846838 | 10.1021/jm00119a009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine