Compound Detail
CHEMBL380464
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL380464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBVTUPXDRIQNKR-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
3.67
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 9.89 | 9.445 | 0.1 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 9.34 | 8.755 | 0.5 | 2 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 9.01 | 8.905 | 1.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.73 | 8.73 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.13 | nM | 9.89 | Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium as... | 16539400 |
| D(1A) dopamine receptor | Ki | = | 0.46 | nM | 9.34 | Displacement of [3H]SCH 23390 from D1 dopamine receptor | 16539400 |
| D(1B) dopamine receptor | Ki | = | 0.98 | nM | 9.01 | Binding affinity to D5 dopamine receptor by radioligand binding assay | 16539400 |
| D(2) dopamine receptor | Ki | = | 0.99 | nM | 9.0 | Displacement of [3H]spiperone from D2L dopamine receptor | 16539400 |
| D(1B) dopamine receptor | Ki | = | 1.6 | nM | 8.8 | Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium ass... | 16539400 |
| D(3) dopamine receptor | Ki | = | 1.88 | nM | 8.73 | Binding affinity to D3 dopamine receptor by radioligand binding assay | 16539400 |
| D(1A) dopamine receptor | Ki | = | 6.8 | nM | 8.17 | Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium ass... | 16539400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539400 | 10.1021/jm051237e | D(1A) dopamine receptor | 2 |
| 16539400 | 10.1021/jm051237e | D(2) dopamine receptor | 2 |
| 16539400 | 10.1021/jm051237e | D(1B) dopamine receptor | 2 |
| 16539400 | 10.1021/jm051237e | D(3) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine