Compound Detail
CHEMBL55795
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL55795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMQXCRYVRPDQDR-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179040 |
| Active Moiety | CHEMBL1179040 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
3.64
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against nAChR mediated nicotine-evoked [3H]DA overflow using... | 15050617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine