Compound Detail
CHEMBL168595
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 | CHEMBL168595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUYVHMHNZOCCFN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
0.46
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.53 | 6.025 | 295.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 295.0 | nM | 6.53 | In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of mus... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3000.0 | nM | 5.52 | In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80537-5 | Muscarinic acetylcholine receptor M1 | 6 |
Data from ChEMBL 36 via Core Engine