Compound Detail
CHEMBL4130037
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 | CHEMBL4130037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTFRVHRVNAJZCB-FGZHOGPDSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
2.98
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.72 | 6.72 | 190.6 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.29 | 6.29 | 512.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.15 | 6.15 | 708.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.77 | 5.77 | 1698.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 190.55 | nM | 6.72 | Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 512.86 | nM | 6.29 | Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 707.95 | nM | 6.15 | Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 1122.02 | nM | 5.95 | Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1698.24 | nM | 5.77 | Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed ... | 28609709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M2 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M1 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M3 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M4 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine