Compound Detail
CHEMBL240022
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Basic Information
| ChEMBL ID | CHEMBL240022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHDVHKCXIMBGFK-MFKUBSTISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.36
ALogP
5
HBA
0
HBD
60.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 200.0 | nM | 6.7 | Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor | 17317171 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells | 17317171 |
| D(2) dopamine receptor | Ki | = | 11000.0 | nM | 4.96 | Displacement of [3H]spiperone from dopamine D2 receptor | 17317171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Muscarinic acetylcholine receptor M4 | 2 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | 5-hydroxytryptamine receptor 7 | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | D(2) dopamine receptor | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Unchecked | 1 |
| 17317171 | 10.1016/j.bmcl.2007.01.093 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine