Compound Detail
CHEMBL405369
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 | CHEMBL405369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQCBYARNXRSEMX-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]neomonapride from dopamine D2 receptor in rat striatum | 18251489 |
| D(1A) dopamine receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum | 18251489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18251489 | 10.1021/jm701045j | D(1A) dopamine receptor | 1 |
| 18251489 | 10.1021/jm701045j | D(2) dopamine receptor | 1 |
| 18251489 | 10.1021/jm701045j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine