Compound Detail
CHEMBL104574
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Basic Information
| ChEMBL ID | CHEMBL104574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNEMFGJTTJMEDD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
5.29
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.14 | 7.14 | 72.4 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.93 | 5.93 | 1174.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 5.87 | 5.87 | 1349.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.86 | 5.86 | 1380.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 72.44 | nM | 7.14 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in t... | 12086495 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 1122.02 | nM | 5.95 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in t... | 12086495 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1174.9 | nM | 5.93 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in t... | 12086495 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1348.96 | nM | 5.87 | Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in ... | 12086495 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1380.38 | nM | 5.86 | Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in t... | 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