Compound Detail
CHEMBL3103985
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 | CHEMBL3103985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIDGKVACICOZRZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
1.12
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha4/beta2/alpha5 CHEMBL3038461 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | EC50 | = | 700.0 | nM | 6.16 | Positive allosteric modulation of human alpha4beta2alpha5 nACHR expressed in HEK... | 24365158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24365158 | 10.1016/j.bmcl.2013.11.049 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | 4 |
Data from ChEMBL 36 via Core Engine