Compound Detail
CHEMBL5751653
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Basic Information
| ChEMBL ID | CHEMBL5751653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVQVEBXIMQEOQV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.67
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha2/beta2 CHEMBL2109236 | Ki | 7.8 | 6.905 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha2/beta2 | Ki | = | 16.0 | nM | 7.8 | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% conf... | - |
| Neuronal acetylcholine receptor; alpha2/beta2 | Ki | = | 970.0 | nM | 6.01 | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% conf... | - |
Data from ChEMBL 36 via Core Engine