Compound Detail
CHEMBL3318848
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 | CHEMBL3318848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNNFNZWUUKLWQS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.0
MW (Da)
4.93
ALogP
5
HBA
0
HBD
49.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.74 | 8.73 | 1.8 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]spiperone from human D2short receptor stably expressed in CH... | 25047579 |
| D(2) dopamine receptor | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO... | 25047579 |
| D(4) dopamine receptor | Ki | = | 8.7 | nM | 8.06 | Displacement of [3H]spiperone from human D4.4 receptor stably expressed in CHO c... | 25047579 |
| D(3) dopamine receptor | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]spiperone from human D3 receptor stably expressed in CHO cel... | 25047579 |
| D(1A) dopamine receptor | Ki | = | 200.0 | nM | 6.7 | Displacement of [3H]SCH23390 from porcine striatal membranes D1 receptor by comp... | 25047579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(2) dopamine receptor | 2 |
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(3) dopamine receptor | 1 |
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(4) dopamine receptor | 1 |
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine