Compound Detail
CHEMBL3408291
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Basic Information
| ChEMBL ID | CHEMBL3408291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGKOVGUOLPCPLM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3547056 |
| Active Moiety | CHEMBL3547056 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
3.50
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL5221 | Ki | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 3.2 | nM | 8.49 | Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after ... | 25521963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25521963 | 10.1021/jm501456p | Rattus norvegicus | 4 |
| 25521963 | 10.1021/jm501456p | Nischarin | 1 |
| 25521963 | 10.1021/jm501456p | Adrenergic receptor alpha-2 | 1 |
| 25521963 | 10.1021/jm501456p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine