Compound Detail
CHEMBL600418
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CN(CCCCCCCCCCCN(C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL600418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZVOIYWMIFUFFE-RGPSKDRDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.9
MW (Da)
8.79
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 319.0 | nM | 6.5 | Antagonist activity at nicotinic acetylcholine receptor in rat striatal slices a... | 20079634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20079634 | 10.1016/j.bmcl.2009.12.089 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine