Compound Detail
CHEMBL430112
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Basic Information
| ChEMBL ID | CHEMBL430112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHXVJSFOJHMEEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
153.3
MW (Da)
2.02
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 42.0 | nM | 7.38 | Displacement of [3H]-clonidine from bovine imidazoline receptor I-1 | 8632424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8632424 | 10.1021/jm960012o | Adrenergic receptor alpha-1 | 1 |
| 8632424 | 10.1021/jm960012o | Alpha-2A adrenergic receptor | 1 |
| 8632424 | 10.1021/jm960012o | Alpha-2B adrenergic receptor | 1 |
| 8632424 | 10.1021/jm960012o | Alpha-2C adrenergic receptor | 1 |
| 8632424 | 10.1021/jm960012o | Nischarin | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine