Compound Detail
CHEMBL129609
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Basic Information
| ChEMBL ID | CHEMBL129609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJVWDVTXZQWCCU-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
1.86
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 4.9 | % | Canis lupus familiaris |
| T1/2 | 8.5 | hr | Canis lupus familiaris |
| T1/2 | 0.61 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 3000.0 | nM | 5.52 | Binding affinity value obtained by measuring the displacement of radioligand [3H... | 9022806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022806 | 10.1021/jm960233u | IMR-32 | 2 |
| 9022806 | 10.1021/jm960233u | Canis familiaris | 2 |
| 9022806 | 10.1021/jm960233u | Neuronal acetylcholine receptor | 1 |
| 9022806 | 10.1021/jm960233u | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 9022806 | 10.1021/jm960233u | ADMET | 1 |
Data from ChEMBL 36 via Core Engine