Compound Detail
CHEMBL577107
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Basic Information
| ChEMBL ID | CHEMBL577107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFODRRSFOKQAGF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
1.98
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 400.0 | nM | 6.4 | Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR | 19804970 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 3100.0 | nM | 5.51 | 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