Compound Detail
CHEMBL25772
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Basic Information
| ChEMBL ID | CHEMBL25772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBMJCDACSWDYQN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.70
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 2.5 | nM | 8.6 | Displacement of [3H]spiperone from human Dopamine receptor D4 expressed in HEK29... | 10340615 |
| D(2) dopamine receptor | Ki | = | 140.0 | nM | 6.85 | Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO c... | 10340615 |
| D(3) dopamine receptor | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in HEK29... | 10340615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340615 | 10.1016/s0960-894x(99)00169-9 | D(2) dopamine receptor | 1 |
| 10340615 | 10.1016/s0960-894x(99)00169-9 | D(3) dopamine receptor | 1 |
| 10340615 | 10.1016/s0960-894x(99)00169-9 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine