Compound Detail
CHEMBL99476
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL99476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVFYCQYZPZLAQO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
1.66
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 8.24 | 7.78 | 5.7 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.85 | 6.85 | 141.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 5.7 | nM | 8.24 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 5.7 | nM | 8.24 | Displacement of [3H]oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acety... | 1433209 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 48.0 | nM | 7.32 | Displacement of [3H]pirenzepine (Pz) from rat hippocampus muscarinic acetylcholi... | 1433209 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 141.25 | nM | 6.85 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 17977730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433209 | 10.1021/jm00100a005 | Muscarinic acetylcholine receptor M1 | 3 |
| 17977730 | 10.1016/j.bmc.2007.10.058 | Muscarinic acetylcholine receptor M1 | 2 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor | 1 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine