Compound Detail
CHEMBL141097
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Basic Information
| ChEMBL ID | CHEMBL141097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNWMSZBRGJWEKC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.22
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 8.34 | 8.34 | 4.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.183 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 4.57 | nM | 8.34 | In vitro for binding affinity for muscarinic acetylcholine receptors in homogeni... | 11087580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35798565 | 10.1021/acs.jmedchem.2c00416 | ADMET | 7 |
| 11087580 | 10.1021/jm000305o | Muscarinic acetylcholine receptor | 1 |
| 11087580 | 10.1021/jm000305o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine