Compound Detail
CHEMBL104265
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Basic Information
| ChEMBL ID | CHEMBL104265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBBQFNAAZVQRCL-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1179911 |
| Active Moiety | CHEMBL1179911 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
370.5
MW (Da)
5.61
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.93 | 4.93 | 11700.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.18 | 4.18 | 65500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 11700.0 | nM | 4.93 | Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its a... | 12372503 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 65500.0 | nM | 4.18 | Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated... | 12372503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372503 | 10.1016/s0960-894x(02)00687-x | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 12372503 | 10.1016/s0960-894x(02)00687-x | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 19477134 | 10.1016/j.bmc.2009.05.010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine