Compound Detail
CHEMBL40287
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Basic Information
| ChEMBL ID | CHEMBL40287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDDHXPSVHYYHPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.4
MW (Da)
3.13
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]-clonidine from Imidazoline-1 receptor in bovine chromaffin ... | 27265687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11334568 | 10.1021/jm001111b | Nischarin | 1 |
| 11334568 | 10.1021/jm001111b | Monoamine oxidase | 1 |
| 11334568 | 10.1021/jm001111b | Unchecked | 1 |
| 27265687 | 10.1016/j.bmc.2016.05.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine