Compound Detail
CHEMBL105160
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 | CHEMBL105160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUYDWHDEVFRQHJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.93
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.85 | 7.85 | 14.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.55 | 6.55 | 281.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.51 | 5.51 | 3090.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.34 | 5.34 | 4570.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 14.13 | nM | 7.85 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in t... | 12086495 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 281.84 | nM | 6.55 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in t... | 12086495 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3090.3 | nM | 5.51 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in t... | 12086495 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 4570.88 | nM | 5.34 | Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in ... | 12086495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M1 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M2 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M3 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M4 | 1 |
| 12086495 | 10.1021/jm011116o | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine