Compound Detail
CHEMBL221397
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 | CHEMBL221397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFLFOJAXSFSCDA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.22
ALogP
5
HBA
1
HBD
44.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.51 | 7.51 | 30.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.39 | 6.39 | 407.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.389 | nM | 9.41 | Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membr... | 17266201 |
| D(4) dopamine receptor | Ki | = | 30.9 | nM | 7.51 | Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell mem... | 17266201 |
| D(2) dopamine receptor | Ki | = | 407.38 | nM | 6.39 | Binding affinity to dopamine D2 | 17266201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266201 | 10.1021/jm0611152 | Dopamine receptors; D2 & D3 | 1 |
| 17266201 | 10.1021/jm0611152 | Dopamine receptors; D3 & D4 | 1 |
| 17266201 | 10.1021/jm0611152 | D(2) dopamine receptor | 1 |
| 17266201 | 10.1021/jm0611152 | D(3) dopamine receptor | 1 |
| 17266201 | 10.1021/jm0611152 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine