Compound Detail
CHEMBL7821
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Basic Information
| ChEMBL ID | CHEMBL7821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQBZYAFJUWYRHM-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
3.34
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.21 | 6.21 | 610.0 | 2 |
| Dopamine receptor CHEMBL2093868 | IC50 | 6.09 | 6.09 | 808.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.7 | nM | 8.43 | Concentration required (in vitro) to displace 50% specific binding of [3H]clozap... | 7288815 |
| NON-PROTEIN TARGET | IC50 | = | 3.7 | nM | 8.43 | Tested in vitro for its ability to displace 3[H] clozapine from non-muscarinic r... | 7108902 |
| Muscarinic acetylcholine receptor | IC50 | = | 610.0 | nM | 6.21 | Concentration required (in vitro) to displace 50% specific binding of [3H]clozap... | 7288815 |
| Muscarinic acetylcholine receptor | IC50 | = | 610.0 | nM | 6.21 | Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acety... | 7108902 |
| Dopamine receptor | IC50 | = | 808.0 | nM | 6.09 | Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2... | 7288815 |
| Dopamine receptor | IC50 | = | 808.0 | nM | 6.09 | Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain | 7108902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7288815 | 10.1021/jm00141a001 | Muscarinic acetylcholine receptor | 1 |
| 7288815 | 10.1021/jm00141a001 | Unchecked | 1 |
| 7288815 | 10.1021/jm00141a001 | Dopamine receptor | 1 |
| 7108902 | 10.1021/jm00349a018 | Muscarinic acetylcholine receptor | 1 |
| 7108902 | 10.1021/jm00349a018 | NON-PROTEIN TARGET | 1 |
| 7108902 | 10.1021/jm00349a018 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine