Compound Detail
CHEMBL577968
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Basic Information
| ChEMBL ID | CHEMBL577968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJSGVYMXXNQXGW-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1197591 |
| Active Moiety | CHEMBL1197591 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
1.87
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.21 | 5.21 | 6100.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 6100.0 | nM | 5.21 | Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR | 19804970 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 25000.0 | nM | 4.6 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR | 19804970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19804970 | 10.1016/j.bmcl.2009.09.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 19804970 | 10.1016/j.bmcl.2009.09.073 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 19804970 | 10.1016/j.bmcl.2009.09.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine