Compound Detail
CHEMBL1496898
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 | CHEMBL1496898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTXSIJUGVMTTMU-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
1.90
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.04 | 6.04 | 910.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 910.0 | nM | 6.04 | Displacement of 3H-cytisine from rat brain alpha4beta2 nAChR by radioligand bind... | 33120080 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3700.0 | nM | 5.43 | Displacement of 125I-alpha-bungarotoxin from rat brain alpha7 nAChR by radioliga... | 33120080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33120080 | 10.1016/j.bmc.2020.115820 | ADMET | 1 |
| 33120080 | 10.1016/j.bmc.2020.115820 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 33120080 | 10.1016/j.bmc.2020.115820 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine