Compound Detail
CHEMBL4099531
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Basic Information
| ChEMBL ID | CHEMBL4099531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILBLIPKOMANMPA-ONGXEEELSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.32
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.62 | 4.495 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 24000.0 | nM | 4.62 | Displacement of [125I]alpha-bungarotoxin from rat hippocampus membrane alpha7* n... | 27810599 |
| Unchecked | Ki | = | 43000.0 | nM | 4.37 | Displacement of [3H]epibatidine from rat cerebral cortex membrane alpha4beta2* n... | 27810599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810599 | 10.1016/j.ejmech.2016.10.048 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine