Compound Detail
CHEMBL40121
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Basic Information
| ChEMBL ID | CHEMBL40121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OODDNJQTVFMGCF-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
0.83
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 8.17 | 6.87 | 6.7 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 5.42 | 5.42 | 3800.0 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 5.28 | 5.28 | 5300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 0.7 | uM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 6.7 | nM | 8.17 | Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as t... | 9784090 |
| Unchecked | Ki | = | 7.0 | nM | 8.15 | Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... | 7739014 |
| Muscarinic acetylcholine receptor | Ki | = | 2680.0 | nM | 5.57 | Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... | 7739014 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3800.0 | nM | 5.42 | Compound was evaluated for its affinity towards Muscarinic acetylcholine recepto... | - |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3800.0 | nM | 5.42 | Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membra... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 5300.0 | nM | 5.28 | Compound was evaluated for its affinity towards Muscarinic acetylcholine recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7739014 | 10.1021/jm00009a016 | Muscarinic acetylcholine receptor | 3 |
| - | 10.1016/0960-894X(95)00301-9 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.1016/0960-894X(95)00301-9 | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.1016/0960-894X(95)00301-9 | Muscarinic acetylcholine receptor M3 | 2 |
| - | 10.1016/0960-894X(96)00471-4 | Muscarinic acetylcholine receptor M1 | 2 |
| 7739014 | 10.1021/jm00009a016 | Unchecked | 1 |
| - | 10.1016/0960-894X(96)00471-4 | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.1016/0960-894X(96)00471-4 | Muscarinic acetylcholine receptor M3 | 1 |
| 9784090 | 10.1021/jm980192x | Muscarinic acetylcholine receptor | 1 |
| 9784090 | 10.1021/jm980192x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine