Compound Detail
CHEMBL1836646
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Basic Information
| ChEMBL ID | CHEMBL1836646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITXRGZRPRZJEGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.73
ALogP
5
HBA
2
HBD
59.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 2.5 | nM | 8.6 | Displacement of [3H]N-methylscopolamine from human M3 receptor | 21863888 |
| Sodium-dependent noradrenaline transporter | Ki | = | 2900.0 | nM | 5.54 | Displacement of [3H]nisoxetine from human NET receptor | 21863888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21863888 | 10.1021/jm2007535 | Muscarinic acetylcholine receptor M3 | 1 |
| 21863888 | 10.1021/jm2007535 | Sodium-dependent noradrenaline transporter | 1 |
| 21863888 | 10.1021/jm2007535 | No relevant target | 1 |
| 21863888 | 10.1021/jm2007535 | Liver microsomes | 1 |
| 21863888 | 10.1021/jm2007535 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine