Compound Detail
CHEMBL171501
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Basic Information
| ChEMBL ID | CHEMBL171501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNDRMQSFWYJYTE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181452 |
| Active Moiety | CHEMBL1181452 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.27
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 2600.0 | nM | 5.58 | Inhibition of [3H]NMS (N-[3H]methylscopolamine) binding to Muscarinic acetylchol... | 11831902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831902 | 10.1021/jm010196t | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine