Compound Detail
CHEMBL149660
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Basic Information
| ChEMBL ID | CHEMBL149660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNYFOVSQSAVTHE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.7
MW (Da)
1.53
ALogP
5
HBA
2
HBD
141.2
PSA (Ų)
0.13
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor CHEMBL3350224 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Nicotinic acetylcholine receptor CHEMBL3350223 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor | Ki | = | 4.5 | nM | 8.35 | Binding affinity for nAChR with [3H]imidacloprid in Myzus persicae | 11150171 |
| Nicotinic acetylcholine receptor | Ki | = | 13.0 | nM | 7.89 | Binding affinity for nAChR with [3H]imidacloprid in Drosophila | 11150171 |
| Unchecked | Ki | = | 44.0 | nM | 7.36 | Binding affinity for nAChR with [3H]nicotine in rat brain | 11150171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150171 | 10.1021/jm000240p | Nicotinic acetylcholine receptor | 2 |
| 11150171 | 10.1021/jm000240p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine