Compound Detail
CHEMBL553066
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Basic Information
| ChEMBL ID | CHEMBL553066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADQPXRMTYWTANH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194660 |
| Active Moiety | CHEMBL1194660 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
1.91
ALogP
4
HBA
2
HBD
73.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Kd | 8.96 | 8.96 | 1.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Kd | 8.85 | 8.85 | 1.4 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Kd | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Kd | = | 1.1 | nM | 8.96 | In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat ce... | 2374141 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1.4 | nM | 8.85 | In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat su... | 2374141 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 1.6 | nM | 8.8 | 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