Compound Detail
CHEMBL321214
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Basic Information
| ChEMBL ID | CHEMBL321214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXWOCVWJOICKHA-RRWXTXHCSA-N |
5
Targets
10
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.95
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.78
Kd 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.78 | 9.6533 | 0.2 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.75 | 9.75 | 0.2 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 9.52 | 9.435 | 0.3 | 2 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 9.32 | 9.32 | 0.5 | 1 |
| Glutathione S-transferase theta-1 CHEMBL2423 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 8.73 | 8.72 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1956033 | 10.1021/jm00115a003 | Muscarinic acetylcholine receptor | 6 |
| 1956033 | 10.1021/jm00115a003 | Cavia porcellus | 2 |
| 1956033 | 10.1021/jm00115a003 | Muscarinic acetylcholine receptor M2 | 1 |
| 1956033 | 10.1021/jm00115a003 | Glutathione S-transferase theta-1 | 1 |
Data from ChEMBL 36 via Core Engine