Compound Detail
CHEMBL596179
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 | CHEMBL596179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYPJQZCDRFFIJS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
3.36
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 5.74 | 5.74 | 1810.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.68 | 5.68 | 2070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 1810.0 | nM | 5.74 | Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in CHO ce... | 19744859 |
| D(1A) dopamine receptor | Ki | = | 2070.0 | nM | 5.68 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO ce... | 19744859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(1A) dopamine receptor | 3 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(2) dopamine receptor | 3 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(3) dopamine receptor | 1 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(4) dopamine receptor | 1 |
| 19744859 | 10.1016/j.bmc.2009.08.028 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine