Compound Detail
CHEMBL3608513
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 | CHEMBL3608513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTCQEPISOSWPPZ-RBSFLKMASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.4
MW (Da)
2.33
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 9.42 | 9.42 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.38 | nM | 9.42 | Displacement of [3H]-epibatidine from alpha4beta2 nAChR in rat cerebral cortex h... | 26233800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26233800 | 10.1016/j.bmc.2015.07.021 | Mus musculus | 6 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
Data from ChEMBL 36 via Core Engine