Compound Detail
CHEMBL55006
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Basic Information
| ChEMBL ID | CHEMBL55006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTSKQQBMAQPJIQ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179028 |
| Active Moiety | CHEMBL1179028 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
262.5
MW (Da)
5.20
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against nAChR mediated nicotine-evoked [3H]DA overflow using... | 15050617 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at nAChR in rat striatal slices assessed as inhibition of ni... | 17977723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17977723 | 10.1016/j.bmcl.2007.10.062 | Unchecked | 2 |
| 15050617 | 10.1016/j.bmcl.2003.10.073 | Rattus norvegicus | 1 |
| 15050617 | 10.1016/j.bmcl.2003.10.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 15050617 | 10.1016/j.bmcl.2003.10.073 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 19477134 | 10.1016/j.bmc.2009.05.010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine