Compound Detail
CHEMBL396561
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 | CHEMBL396561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKYKQBWPYFTZHN-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.80
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.64 | 7.64 | 22.8 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.5 | 7.5 | 31.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.03 | 7.03 | 92.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.95 | 5.95 | 1135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed i... | 17188870 |
| D(2) dopamine receptor | Ki | = | 22.8 | nM | 7.64 | Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed ... | 17188870 |
| D(1B) dopamine receptor | Ki | = | 31.5 | nM | 7.5 | Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells | 17188870 |
| Unchecked | Ki | = | 92.6 | nM | 7.03 | Binding affinity to human cloned dopamine D4.4 receptor expressed in CHO cells | 17188870 |
| D(3) dopamine receptor | Ki | = | 1135.0 | nM | 5.95 | Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells | 17188870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188870 | 10.1016/j.bmcl.2006.11.093 | D(1A) dopamine receptor | 1 |
| 17188870 | 10.1016/j.bmcl.2006.11.093 | D(2) dopamine receptor | 1 |
| 17188870 | 10.1016/j.bmcl.2006.11.093 | D(3) dopamine receptor | 1 |
| 17188870 | 10.1016/j.bmcl.2006.11.093 | Unchecked | 1 |
| 17188870 | 10.1016/j.bmcl.2006.11.093 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine