Compound Detail
CHEMBL81895
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Basic Information
| ChEMBL ID | CHEMBL81895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLIJXWKSKPMWKN-BMRADRMJSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
274.8
MW (Da)
2.40
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.72 | 6.565 | 19.0 | 4 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.48 | 5.48 | 3340.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 19.0 | nM | 7.72 | Binding affinity towards muscarinic receptor using [3H]cis-methyldioxolane (CMD)... | - |
| Muscarinic acetylcholine receptor | IC50 | = | 19.1 | nM | 7.72 | Muscarinic acetylcholine receptor binding assay was conducted using [3H]cis-meth... | 9651157 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 3340.0 | nM | 5.48 | Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylchol... | 9651157 |
| Muscarinic acetylcholine receptor | IC50 | = | 3882.0 | nM | 5.41 | Binding affinity towards muscarinic receptor using [3H]quinuclidinyl benzilate (... | - |
| Muscarinic acetylcholine receptor | IC50 | = | 3880.0 | nM | 5.41 | Muscarinic acetylcholine receptor binding assay was conducted using [3H]quinucli... | 9651157 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 20600.0 | nM | 4.69 | Binding affinity of [3H]QNB to CHO cells expressing human Muscarinic acetylcholi... | 9651157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00086-9 | Muscarinic acetylcholine receptor | 3 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor | 3 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.1016/0960-894X(95)00086-9 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M2 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M3 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptor M5 | 1 |
| 9651157 | 10.1021/jm960683m | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine