Compound Detail
CHEMBL99884
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 | CHEMBL99884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEDQUQGOGGNBGS-LSDHHAIUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
3.10
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.86
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 6.86 | 6.86 | 139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 42.0 | nM | 7.38 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 139.0 | nM | 6.86 | Stimulation of cAMP in CHO cells expressing human m2 receptor | 9873644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M1 | 3 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M2 | 2 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor | 1 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine