Compound Detail
CHEMBL51017
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 | CHEMBL51017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFIXQOMKJZEWGH-CRAIPNDOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
2.99
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 91.0 | nM | 7.04 | Displacement of [3H]- #NAME? from binding Dopamine receptor D1 in rat striatum | 1971308 |
| D(2) dopamine receptor | IC50 | = | 136.0 | nM | 6.87 | Displacement of [3H]- -spiperone from Dopamine receptor D2 in rat striatum | 1971308 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Stimulation of Adenylate cyclase from rat striatal membranes | 1971308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1971308 | 10.1021/jm00168a034 | Unchecked | 2 |
| 1971308 | 10.1021/jm00168a034 | D(1A) dopamine receptor | 1 |
| 1971308 | 10.1021/jm00168a034 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine