Compound Detail
CHEMBL441356
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Basic Information
| ChEMBL ID | CHEMBL441356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPABSWBNWMXCHM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.23
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 2000.0 | nM | 5.7 | Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor | 17317171 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 5000.0 | nM | 5.3 | Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells | 17317171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16359864 | 10.1016/j.bmcl.2005.11.045 | Escherichia coli | 1 |
| 16359864 | 10.1016/j.bmcl.2005.11.045 | Sulfonylurea receptor 1, Kir6.2 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | 5-hydroxytryptamine receptor 7 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine