Compound Detail
CHEMBL168581
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 | CHEMBL168581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXLJCZLRIDNKGM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.43
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 6.18 | 6.18 | 663.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 663.0 | nM | 6.18 | Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat... | - |
| Oryctolagus cuniculus | IC50 | = | 39000.0 | nM | 4.41 | Compound was evaluated for the inhibition of the twitch response in the electric... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80536-3 | Oryctolagus cuniculus | 2 |
| - | 10.1016/S0960-894X(00)80536-3 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(00)80536-3 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine