Compound Detail
CHEMBL119508
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Basic Information
| ChEMBL ID | CHEMBL119508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWCMIKHZQAGDAM-RFVHGSKJSA-M |
| Parent Compound | CHEMBL1180268 |
| Active Moiety | CHEMBL1180268 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.56
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.01 | 4.99 | 980.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 980.0 | nM | 6.01 | Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex. | 8246221 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 21000.0 | nM | 4.68 | Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat heart. | 8246221 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 52000.0 | nM | 4.28 | Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in ra... | 8246221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246221 | 10.1021/jm00075a007 | Muscarinic acetylcholine receptor M2 | 4 |
| 8246221 | 10.1021/jm00075a007 | Unchecked | 2 |
| 8246221 | 10.1021/jm00075a007 | Muscarinic acetylcholine receptor M1 | 1 |
| 8246221 | 10.1021/jm00075a007 | Muscarinic receptor M1 and M2 | 1 |
Data from ChEMBL 36 via Core Engine