Compound Detail
CHEMBL98529
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 | CHEMBL98529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPSLIXDSEYRXTI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.31
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 4.3 | nM | 8.37 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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