Compound Detail
CHEMBL1785045
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Basic Information
| ChEMBL ID | CHEMBL1785045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSJLNSWLJFDCCH-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
1.65
ALogP
10
HBA
0
HBD
90.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 63.0 | nM | 7.2 | Displacement of [3H]epibatidine from nAChR in rat cerebral cortex | 19006672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19006672 | 10.1016/j.bmc.2008.10.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine