Compound Detail
CHEMBL366923
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Basic Information
| ChEMBL ID | CHEMBL366923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKDFRCLRYPEFNF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
2.13
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.41
Ki 1 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.41 | 9.41 | 0.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Kd | 8.97 | 8.97 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.39 | nM | 9.41 | Dissociation constant for nicotinic acetylcholine receptor alpha4-beta2 of mouse... | 15686879 |
| Unchecked | Ki | = | 0.39 | nM | 9.41 | Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 from mouse M1... | 15686879 |
| Neuronal acetylcholine receptor subunit alpha-7 | Kd | = | 1.06 | nM | 8.97 | Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human ne... | 15686879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686879 | 10.1016/j.bmcl.2004.12.069 | Unchecked | 2 |
| 15686879 | 10.1016/j.bmcl.2004.12.069 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
Data from ChEMBL 36 via Core Engine