Compound Detail
CHEMBL317982
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 | CHEMBL317982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVRLLCOTIWCMOM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.9
MW (Da)
5.35
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.71
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 12.0 | nM | 7.92 | Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radio... | 8411003 |
| D(2) dopamine receptor | IC50 | = | 19.0 | nM | 7.72 | Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radio... | 8411003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411003 | 10.1021/jm00072a006 | D(1A) dopamine receptor | 1 |
| 8411003 | 10.1021/jm00072a006 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine