Compound Detail
CHEMBL88578
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 | CHEMBL88578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCCVZRIFCRPGSK-WCBMZHEXSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.4
MW (Da)
2.68
ALogP
4
HBA
0
HBD
17.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
Kd 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Kd | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 45.0 | nM | 7.35 | Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane f... | 1732522 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 51.0 | nM | 7.29 | Ability to displace [3H]pirenzepine (pir) from muscarinic acetylcholine receptor... | 1732522 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 630.96 | nM | 6.2 | Central presynaptic activity as effect on electrically evoked acetylcholine rele... | 1732522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M1 | 3 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M3 | 2 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor | 2 |
| 1732522 | 10.1021/jm00079a002 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine