Compound Detail
CHEMBL468677
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 | CHEMBL468677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDYRKVDHSYMRQS-QGZVFWFLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.37
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.78 | 6.78 | 165.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.28 | 6.28 | 526.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.0 | nM | 8.52 | Selectivity ratio of Ki for dopamine D1 receptor to Ki for dopamine D2 receptor ... | 19058967 |
| D(2) dopamine receptor | Ki | = | 165.0 | nM | 6.78 | Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain | 19058967 |
| D(1A) dopamine receptor | Ki | = | 526.0 | nM | 6.28 | Displacement of [3H]SCH23390 from dopamine D1 receptor in rat forebrain | 19058967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19058967 | 10.1016/j.bmcl.2008.11.025 | Unchecked | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | D(2) dopamine receptor | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine