Compound Detail
CHEMBL549553
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Basic Information
| ChEMBL ID | CHEMBL549553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZXWTODDRGLJAF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.63
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.585 | nM | 8.8 | Inhibition of [3H]NMS binding to muscarinic receptor in mouse N4TG1 neuroblastom... | 19409797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19409797 | 10.1016/j.bmc.2009.04.001 | Unchecked | 1 |
| 19409797 | 10.1016/j.bmc.2009.04.001 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine