Compound Detail
CHEMBL553894
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 | CHEMBL553894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSXXNHGNASPVAF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195123 |
| Active Moiety | CHEMBL1195123 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.19
ALogP
4
HBA
3
HBD
99.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Kd | 8.15 | 8.15 | 7.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Kd | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 2.5 | nM | 8.6 | In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat su... | 2374141 |
| Muscarinic acetylcholine receptor M1 | Kd | = | 7.0 | nM | 8.15 | In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat ce... | 2374141 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 11.0 | nM | 7.96 | In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat he... | 2374141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374141 | 10.1021/jm00170a010 | Rattus norvegicus | 3 |
| 2374141 | 10.1021/jm00170a010 | Cavia porcellus | 2 |
| 2374141 | 10.1021/jm00170a010 | No relevant target | 1 |
| 2374141 | 10.1021/jm00170a010 | Muscarinic acetylcholine receptor M1 | 1 |
| 2374141 | 10.1021/jm00170a010 | Muscarinic acetylcholine receptor M2 | 1 |
| 2374141 | 10.1021/jm00170a010 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine