Compound Detail
CHEMBL345012
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Basic Information
| ChEMBL ID | CHEMBL345012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCTDOSGJQLYVRP-HWOCKDDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
1.27
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.3 | nM | 8.89 | Inhibition of [3H]- epibatidine binding at the Nicotinic acetylcholine receptor ... | 12361403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361403 | 10.1021/jm0202268 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine