Compound Detail
CHEMBL112395
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Basic Information
| ChEMBL ID | CHEMBL112395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGUNRSBYISSUIH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
3.78
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.08 | 8.08 | 8.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.82 | 7.72 | 15.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 8.3 | nM | 8.08 | Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombina... | 12951112 |
| D(2) dopamine receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant ... | 12951112 |
| D(2) dopamine receptor | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from human recombinant dopami... | 12951112 |
| D(3) dopamine receptor | Ki | = | 160.0 | nM | 6.8 | Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopami... | 12951112 |
| D(1A) dopamine receptor | Ki | = | 6800.0 | nM | 5.17 | Displacement of [3H]SCH-23390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in... | 12951112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951112 | 10.1016/s0960-894x(03)00678-4 | D(2) dopamine receptor | 2 |
| 12951112 | 10.1016/s0960-894x(03)00678-4 | D(1A) dopamine receptor | 1 |
| 12951112 | 10.1016/s0960-894x(03)00678-4 | D(3) dopamine receptor | 1 |
| 12951112 | 10.1016/s0960-894x(03)00678-4 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine