Compound Detail
CHEMBL1785000
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Basic Information
| ChEMBL ID | CHEMBL1785000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGWKKJHXQLTIQR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789755 |
| Active Moiety | CHEMBL1789755 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
0.15
ALogP
8
HBA
1
HBD
93.7
PSA (Ų)
0.21
QED
0
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 30000.0 | nM | 4.52 | 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