Compound Detail
CHEMBL1209307
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 | CHEMBL1209307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUHSMVDDOPDHGW-XAYKYTGQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.22
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.3 | 6.3 | 496.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.95 | 5.95 | 1130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 496.0 | nM | 6.3 | Displacement of [3H]epibatidine from alpha3beta4 nicotinic receptor expressed in... | 20663668 |
| Unchecked | Ki | = | 1130.0 | nM | 5.95 | Displacement of [3H]epibatidine from alpha6/4beta4 nicotinic receptor expressed ... | 20663668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Unchecked | 1 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 1 |
Data from ChEMBL 36 via Core Engine