Compound Detail
CHEMBL347387
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Basic Information
| ChEMBL ID | CHEMBL347387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMGDLEOEFRXHLI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
0.95
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.0
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 5000.0 | nM | 5.3 | In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine recep... | 2299626 |
| Muscarinic acetylcholine receptor | Kd | = | 10000.0 | nM | 5.0 | Dissociation constant of the drug-Muscarinic acetylcholine receptor complex. | 2299626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299626 | 10.1021/jm00164a018 | Muscarinic acetylcholine receptor | 2 |
| 2299626 | 10.1021/jm00164a018 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine