Compound Detail
CHEMBL123433
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 | CHEMBL123433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKVRGRXOYDTUEY-QMMMGPOBSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
290.1
MW (Da)
1.43
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 11.0
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 11.0 | 11.0 | 0.0 | 2 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.96 | 10.4933 | 0.0 | 3 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.01 | nM | 11.0 | Binding affinity to alpha4beta2* nAChR (unknown origin) | 24901260 |
| Unchecked | Ki | = | 0.01 | nM | 11.0 | Binding affinity to human brain alpha7* nAChR | 24901260 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.011 | nM | 10.96 | Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain | 9733494 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.05 | nM | 10.3 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membrane | 23121096 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.06 | nM | 10.22 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain homogenate b... | 23116890 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 700.0 | nM | 6.16 | Agonist activity at alpha4beta2 nAChR (unknown origin) | 23121096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23116890 | 10.1016/j.bmcl.2012.10.012 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 23121096 | 10.1021/jm3011433 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 24901260 | 10.1021/jm401937a | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 9733494 | 10.1021/jm980170a | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 24901260 | 10.1021/jm401937a | Mus musculus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine