Compound Detail
CHEMBL142217
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Basic Information
| ChEMBL ID | CHEMBL142217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHPASGHENHNLAW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.36
ALogP
3
HBA
1
HBD
46.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.46 | 4.965 | 3500.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO... | 11087581 |
| D(1A) dopamine receptor | Ki | = | 3000.0 | nM | 5.52 | Displacement of [3H]SCH-23390 from Dopamine receptor D1 of bovine striatal membr... | 11087581 |
| D(2) dopamine receptor | Ki | = | 3500.0 | nM | 5.46 | Displacement of [3H]spiperone from human Dopamine receptor D2S expressed in CHO ... | 11087581 |
| D(3) dopamine receptor | Ki | = | 4400.0 | nM | 5.36 | Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO c... | 11087581 |
| D(2) dopamine receptor | Ki | = | 34000.0 | nM | 4.47 | Displacement of [3H]spiperone from human Dopamine receptor D2L expressed in CHO ... | 11087581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087581 | 10.1021/jm0009989 | D(2) dopamine receptor | 2 |
| 11087581 | 10.1021/jm0009989 | D(1A) dopamine receptor | 1 |
| 11087581 | 10.1021/jm0009989 | D(3) dopamine receptor | 1 |
| 11087581 | 10.1021/jm0009989 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine