Compound Detail
CHEMBL80917
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Basic Information
| ChEMBL ID | CHEMBL80917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLPPHGXXUMIIDG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-0.19
ALogP
6
HBA
0
HBD
70.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.85 | 5.565 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 1400.0 | nM | 5.85 | In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex... | 1619616 |
| Muscarinic acetylcholine receptor | IC50 | = | 5200.0 | nM | 5.28 | In vitro displacement of [3H]quinuclidinyl benzilate (QNB) from rat cerebral cor... | 1619616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1619616 | 10.1021/jm00091a007 | Muscarinic acetylcholine receptor | 3 |
Data from ChEMBL 36 via Core Engine