Compound Detail
CHEMBL1641683
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Basic Information
| ChEMBL ID | CHEMBL1641683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SODTUAUNQIZTCG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1739203 |
| Active Moiety | CHEMBL1739203 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
0.75
ALogP
3
HBA
3
HBD
74.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.78
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL5221 | Ki | 6.78 | 6.78 | 167.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.71 | 6.71 | 196.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.13 | 6.13 | 748.0 | 1 |
| Nischarin CHEMBL5221 | IC50 | 4.59 | 4.59 | 25600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 167.0 | nM | 6.78 | Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brai... | 21129985 |
| Adrenergic receptor alpha-1 | Ki | = | 196.0 | nM | 6.71 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in Sprague-Dawley r... | 21129985 |
| Adrenergic receptor alpha-2 | Ki | = | 748.0 | nM | 6.13 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in Sprague-Dawley r... | 21129985 |
| Nischarin | IC50 | = | 25600.0 | nM | 4.59 | Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat... | 21129985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21129985 | 10.1016/j.bmc.2010.11.020 | Nischarin | 2 |
| 21129985 | 10.1016/j.bmc.2010.11.020 | Adrenergic receptor alpha-1 | 1 |
| 21129985 | 10.1016/j.bmc.2010.11.020 | Adrenergic receptor alpha-2 | 1 |
| 21129985 | 10.1016/j.bmc.2010.11.020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine