Compound Detail
CHEMBL1290077
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Basic Information
| ChEMBL ID | CHEMBL1290077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWSIBMJVLHAOKJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
4.08
ALogP
5
HBA
0
HBD
45.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 398.11 | nM | 6.4 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 ce... | 21036043 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 794.33 | nM | 6.1 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 ce... | 21036043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21036043 | 10.1016/j.bmcl.2010.10.016 | Muscarinic acetylcholine receptor M3 | 1 |
| 21036043 | 10.1016/j.bmcl.2010.10.016 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine