Compound Detail
CHEMBL299056
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Basic Information
| ChEMBL ID | CHEMBL299056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMEAXKMTOSHGKG-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
273.8
MW (Da)
3.62
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.06 | 6.722 | 87.1 | 5 |
| Unchecked CHEMBL612545 | Ki | 6.69 | 6.69 | 205.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.28 | 6.28 | 522.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 87.1 | nM | 7.06 | Binding affinity against dopamine receptor D1 | 7996543 |
| D(1A) dopamine receptor | Ki | = | 174.0 | nM | 6.76 | Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM | 3050089 |
| D(1A) dopamine receptor | Ki | = | 174.0 | nM | 6.76 | Binding affinity towards dopamine receptor D1 using [3H]SCH-23390 was determined... | 7996543 |
| D(1A) dopamine receptor | Ki | = | 177.83 | nM | 6.75 | Binding affinity against dopamine receptor D1 | 7996543 |
| Unchecked | Ki | = | 205.0 | nM | 6.69 | Inhibition of dopamine-stimulated adenylate cyclase obtained from rat corpus str... | 3050089 |
| D(2) dopamine receptor | Ki | = | 522.0 | nM | 6.28 | Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM | 3050089 |
| D(1A) dopamine receptor | Ki | = | 522.0 | nM | 6.28 | Binding affinity towards dopamine (D1) receptor using [3H]spiperone was determin... | 7996543 |
| D(2) dopamine receptor | Ki | = | 524.81 | nM | 6.28 | Binding affinity against dopamine (D2) receptor | 7996543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7996543 | 10.1021/jm00051a008 | D(1A) dopamine receptor | 4 |
| 10464009 | 10.1021/jm980415j | D(1A) dopamine receptor | 1 |
| 3050089 | 10.1021/jm00118a012 | D(1A) dopamine receptor | 1 |
| 3050089 | 10.1021/jm00118a012 | D(2) dopamine receptor | 1 |
| 3050089 | 10.1021/jm00118a012 | Unchecked | 1 |
| 3050089 | 10.1021/jm00118a012 | Dopamine receptors; D1 & D2 | 1 |
| 7996543 | 10.1021/jm00051a008 | D(2) dopamine receptor | 1 |
| 7996543 | 10.1021/jm00051a008 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine