Compound Detail
CHEMBL1209073
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 | CHEMBL1209073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNMSSHGJBECBJ-BQPCHSDVSA-N |
| Parent Compound | CHEMBL1229180 |
| Active Moiety | CHEMBL1229180 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.13
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.54
Ki 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.04 | 8.04 | 9.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.54 | 7.54 | 28.9 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | EC50 | 7.49 | 7.49 | 32.7 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 7.03 | 7.03 | 94.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9.01 | nM | 8.04 | Displacement of [3H]epibatidine from alpha6/4beta4 nicotinic receptor expressed ... | 20663668 |
| Unchecked | EC50 | = | 28.9 | nM | 7.54 | Agonist activity at human alpha6/4beta4 nicotinic receptor expressed in human HE... | 20663668 |
| Neuronal acetylcholine receptor; alpha3/beta4 | EC50 | = | 32.7 | nM | 7.49 | Agonist activity at alpha3beta4 nicotinic receptor expressed in human HEK cells ... | 20663668 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 94.1 | nM | 7.03 | Displacement of [3H]epibatidine from alpha3beta4 nicotinic receptor expressed in... | 20663668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Unchecked | 3 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | MDCK | 2 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20663668 | 10.1016/j.bmcl.2010.06.142 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 1 |
Data from ChEMBL 36 via Core Engine