Compound Detail
CHEMBL154778
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Basic Information
| ChEMBL ID | CHEMBL154778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRWZEBOCBDVIPE-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.71
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.75
Kd 1 meas. best 5.77
Ki 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 180.0 | nM | 6.75 | In vitro muscarinic activity against guinea pig ileum was determined | 2299626 |
| Muscarinic acetylcholine receptor | Ki | = | 610.0 | nM | 6.21 | In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine recep... | 2299626 |
| Muscarinic acetylcholine receptor | Kd | = | 1700.0 | nM | 5.77 | Dissociation constant of the drug-Muscarinic acetylcholine receptor complex. | 2299626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299626 | 10.1021/jm00164a018 | Cavia porcellus | 2 |
| 2299626 | 10.1021/jm00164a018 | Muscarinic acetylcholine receptor | 2 |
Data from ChEMBL 36 via Core Engine