Compound Detail
CHEMBL180115
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 | CHEMBL180115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWYLKYFZOMUTBF-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.65
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 16700.0 | nM | 4.78 | Agonistic activity against Nicotinic acetylcholine receptor alpha-7 - 5-hydroxyt... | 15715459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715459 | 10.1021/jm049363q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine