Compound Detail
CHEMBL137717
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Basic Information
| ChEMBL ID | CHEMBL137717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSLDXQUNTKJCGK-IYORNCFKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
182.3
MW (Da)
1.35
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.68 | 5.98 | 208.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 210.0 | nM | 6.68 | In vitro affinity evaluated using [3H]- oxotremorine as radioligand in rat cereb... | 9435896 |
| Muscarinic acetylcholine receptor | IC50 | = | 208.0 | nM | 6.68 | Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors o... | - |
| Muscarinic acetylcholine receptor | IC50 | = | 5200.0 | nM | 5.28 | In vitro affinity evaluated using [3H]- quinuclidinyl benzilate as radioligand i... | 9435896 |
| Muscarinic acetylcholine receptor | IC50 | = | 5200.0 | nM | 5.28 | Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80532-6 | Muscarinic acetylcholine receptor | 3 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor | 2 |
| 9435896 | 10.1021/jm9702903 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine