Compound Detail
CHEMBL72162
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Basic Information
| ChEMBL ID | CHEMBL72162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVKWMORDCBVMMB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.9
MW (Da)
4.46
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.1 | 7.89 | 8.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.57 | 7.045 | 27.0 | 2 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.82 | 6.65 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain | 1967652 |
| D(1A) dopamine receptor | IC50 | = | 21.0 | nM | 7.68 | Binding activity against Dopamine receptor D1 in rat brain, using [3H]SCH-23390 ... | 2571728 |
| D(2) dopamine receptor | IC50 | = | 27.0 | nM | 7.57 | Binding affinity for Dopamine receptor D2 using [3H]spiperone in rat brain | 1967652 |
| Muscarinic acetylcholine receptor | IC50 | = | 150.0 | nM | 6.82 | Binding activity against muscarinic acetylcholine receptor in rat brain using [3... | 2571728 |
| D(2) dopamine receptor | IC50 | = | 305.0 | nM | 6.52 | Binding activity against dopamine receptor D2 in rat brain, using [3H]spiperone ... | 2571728 |
| Muscarinic acetylcholine receptor | IC50 | = | 330.0 | nM | 6.48 | Binding affinity was determined against Muscarinic acetylcholine receptor using ... | 1967652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2571728 | 10.1021/jm00130a006 | Muscarinic acetylcholine receptor | 1 |
| 2571728 | 10.1021/jm00130a006 | D(1A) dopamine receptor | 1 |
| 2571728 | 10.1021/jm00130a006 | D(2) dopamine receptor | 1 |
| 1967652 | 10.1021/jm00164a053 | Muscarinic acetylcholine receptor | 1 |
| 1967652 | 10.1021/jm00164a053 | D(1A) dopamine receptor | 1 |
| 1967652 | 10.1021/jm00164a053 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine