Compound Detail
CHEMBL338561
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Basic Information
| ChEMBL ID | CHEMBL338561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPRBIDUCSQRJAZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.60
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 5.48 | 5.4033 | 3320.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 3320.0 | nM | 5.48 | Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB f... | 9371246 |
| Muscarinic acetylcholine receptor | Ki | = | 3600.0 | nM | 5.44 | Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB f... | 9371246 |
| Muscarinic acetylcholine receptor | Ki | = | 5100.0 | nM | 5.29 | Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea P... | 9371246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371246 | 10.1021/jm970346t | Muscarinic acetylcholine receptor | 4 |
Data from ChEMBL 36 via Core Engine