Compound Detail
CHEMBL111327
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 | CHEMBL111327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMBOTRCLXUOKER-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.71
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.12
Kd 1 meas. best 4.3
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.21 | 5.21 | 6100.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 4.3 | 4.3 | 49500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6100.0 | nM | 5.21 | Inhibition of specific binding of [3H]NMS to Muscarinic acetylcholine receptor i... | 2258904 |
| Muscarinic acetylcholine receptor | EC50 | = | 7500.0 | nM | 5.12 | Compound was tested for its potency against Muscarinic acetylcholine receptor in... | 2258904 |
| Muscarinic acetylcholine receptor | Kd | = | 49500.0 | nM | 4.3 | Dissociation constant towards Muscarinic acetylcholine receptor in guinea pig il... | 2258904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2258904 | 10.1021/jm00174a014 | Muscarinic acetylcholine receptor | 2 |
| 2258904 | 10.1021/jm00174a014 | Cavia porcellus | 1 |
| 2258904 | 10.1021/jm00174a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine