Compound Detail
CHEMBL1165604
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1165604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRWSRVCUSXDCQU-UKTHLTGXSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.16
ALogP
4
HBA
2
HBD
65.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.1
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Kd | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | Kd | 8.22 | 7.625 | 6.0 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Kd | = | 0.8 | nM | 9.1 | Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged A... | 21986237 |
| Unchecked | Kd | = | 6.0 | nM | 8.22 | Displacement of [3H]-epibatidine from Aplysia californica N-terminal FLAG-tagged... | 21986237 |
| Unchecked | Kd | = | 93.0 | nM | 7.03 | Displacement of [3H]-epibatidine from Bulinus truncatus N-terminal FLAG-tagged A... | 21986237 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 200.0 | nM | 6.7 | Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membran... | 20236734 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 210.0 | nM | 6.68 | Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after ... | 20236734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20236734 | 10.1016/j.ejmech.2010.02.027 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 20236734 | 10.1016/j.ejmech.2010.02.027 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 21986237 | 10.1016/j.ejmech.2011.09.033 | Unchecked | 2 |
| 21986237 | 10.1016/j.ejmech.2011.09.033 | Acetylcholine-binding protein | 1 |
Data from ChEMBL 36 via Core Engine