Compound Detail
CHEMBL1947049
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 | CHEMBL1947049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZHSHGVBEAPALY-ITGUQSILSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
2.13
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.1
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 6.0 | 5.905 | 1004.6 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Soluble acetylcholine receptor CHEMBL1944497 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Ki | = | 794.33 | nM | 6.1 | Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding pro... | 22243960 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 1004.62 | nM | 6.0 | Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cerebral cortex... | 15566307 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 1563.15 | nM | 5.81 | Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cerebral cortex... | 15566307 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3162.28 | nM | 5.5 | Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by sci... | 22243960 |
| Soluble acetylcholine receptor | Ki | = | 5011.87 | nM | 5.3 | Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding p... | 22243960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566307 | 10.1021/jm040814g | Serotonin 3 (5-HT3) receptor | 4 |
| 15566307 | 10.1021/jm040814g | Unchecked | 2 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Acetylcholine-binding protein | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Soluble acetylcholine receptor | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine