Compound Detail
CHEMBL72220
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Basic Information
| ChEMBL ID | CHEMBL72220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASIRPKXJTMFOPA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.9
MW (Da)
4.55
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.58 | 5.58 | 2650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 74.0 | nM | 7.13 | Binding activity against Dopamine receptor D1 in rat brain, using [3H]SCH-23390 ... | 2571728 |
| Muscarinic acetylcholine receptor | IC50 | = | 1020.0 | nM | 5.99 | Binding activity against muscarinic acetylcholine receptor in rat brain using [3... | 2571728 |
| D(2) dopamine receptor | IC50 | = | 2650.0 | nM | 5.58 | Binding activity against dopamine receptor D2 in rat brain, using [3H]spiperone ... | 2571728 |
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 |
Data from ChEMBL 36 via Core Engine