Compound Detail
CHEMBL114853
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Basic Information
| ChEMBL ID | CHEMBL114853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICVLUXYJYVIBNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.07 | 5.07 | 8511.4 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 4.51 | 4.51 | 30903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 8511.38 | nM | 5.07 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in Wistar rat cereb... | 12880313 |
| Voltage-gated L-type calcium channel | Ki | = | 30902.95 | nM | 4.51 | Displacement of [3H]diltiazem from benzodiazepine binding site of L-type calcium... | 12880313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12880313 | 10.1021/np030022+ | Adrenergic receptor alpha-1 | 1 |
| 12880313 | 10.1021/np030022+ | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine