Compound Detail
CHEMBL553602
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Basic Information
| ChEMBL ID | CHEMBL553602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PESXKMCPNBSHGM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1194965 |
| Active Moiety | CHEMBL1194965 |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
156.2
MW (Da)
-0.07
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.85
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5105 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL3733 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 10000.0 | nM | 5.0 | Affinity for muscarinic receptor in rat brain was measured by inhibition of [3H]... | 8064804 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 14000.0 | nM | 4.85 | Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line | 9111297 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 41000.0 | nM | 4.39 | Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line | 9111297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M1 | 2 |
| 9111297 | 10.1021/jm960467d | Muscarinic acetylcholine receptor M3 | 2 |
| 8064804 | 10.1021/jm00043a016 | Muscarinic acetylcholine receptor | 1 |
| 8064804 | 10.1021/jm00043a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine