Compound Detail
CHEMBL124713
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 | CHEMBL124713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDURYDYMOOTFTE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.64
ALogP
5
HBA
1
HBD
72.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.38 | 7.38 | 41.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 41.3 | nM | 7.38 | Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-D... | 12930145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930145 | 10.1021/jm0211220 | D(1A) dopamine receptor | 1 |
| 12930145 | 10.1021/jm0211220 | D(2) dopamine receptor | 1 |
| 12930145 | 10.1021/jm0211220 | D(3) dopamine receptor | 1 |
| 12930145 | 10.1021/jm0211220 | 5-hydroxytryptamine receptor 1A | 1 |
| 12930145 | 10.1021/jm0211220 | Alpha-1A adrenergic receptor | 1 |
| 12930145 | 10.1021/jm0211220 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine