Compound Detail
CHEMBL337773
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O=C(OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL337773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDBBFRBGSKBSFA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
4.08
ALogP
6
HBA
1
HBD
92.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.51 | 7.51 | 30.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 30.6 | nM | 7.51 | In vitro for binding affinity for muscarinic acetylcholine receptors in homogeni... | 11087580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087580 | 10.1021/jm000305o | Muscarinic acetylcholine receptor | 1 |
| 11087580 | 10.1021/jm000305o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine