Compound Detail
CHEMBL167982
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Basic Information
| ChEMBL ID | CHEMBL167982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZKWCZRWJCVOOB-FLIBITNWSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
1.40
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.37 | 6.495 | 43.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 43.0 | nM | 7.37 | In vitro affinity evaluated using [3H]- oxotremorine as radioligand in rat cereb... | 9435896 |
| Muscarinic acetylcholine receptor | IC50 | = | 43.0 | nM | 7.37 | In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of... | - |
| Muscarinic acetylcholine receptor | IC50 | = | 2400.0 | nM | 5.62 | In vitro affinity evaluated using [3H]- quinuclidinyl benzilate as radioligand i... | 9435896 |
| Muscarinic acetylcholine receptor | IC50 | = | 2400.0 | nM | 5.62 | In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435896 | 10.1021/jm9702903 | No relevant target | 3 |
| 9435896 | 10.1021/jm9702903 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(00)80533-8 | Muscarinic acetylcholine receptor | 3 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor | 2 |
| 9435896 | 10.1021/jm9702903 | NON-PROTEIN TARGET | 2 |
| - | 10.1016/S0960-894X(00)80533-8 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80533-8 | No relevant target | 2 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/S0960-894X(00)80533-8 | NON-PROTEIN TARGET | 1 |
| - | 10.1016/S0960-894X(00)80533-8 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine