Compound Detail
CHEMBL434532
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Basic Information
| ChEMBL ID | CHEMBL434532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZPKRGYYFQWIFE-XMMPIXPASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.50
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.08 | 8.08 | 8.3 | 1 |
| D(4) dopamine receptor CHEMBL3361 | Ki | 6.19 | 6.19 | 644.0 | 1 |
| D(1B) dopamine receptor CHEMBL2281 | Ki | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 8.3 | nM | 8.08 | Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral stri... | 15857123 |
| D(4) dopamine receptor | Ki | = | 644.0 | nM | 6.19 | Inhibition of [3H]spiperone binding to Dopamine receptor D2-like in rat caudate-... | 15857123 |
| D(1B) dopamine receptor | Ki | = | 2710.0 | nM | 5.57 | Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain | 15857123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857123 | 10.1021/jm049031l | Unchecked | 2 |
| 15857123 | 10.1021/jm049031l | D(1B) dopamine receptor | 1 |
| 15857123 | 10.1021/jm049031l | D(4) dopamine receptor | 1 |
| 15857123 | 10.1021/jm049031l | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine