Compound Detail
CHEMBL2303762
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
OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2303762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEUGQYOMKCJJLJ-LCSWDSHXSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
-0.29
ALogP
9
HBA
7
HBD
151.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Ki 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.94 | 4.94 | 11400.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 4.32 | 4.32 | 47500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1200.0 | nM | 5.92 | Potency was measured by the displacement of [3H]-spiperone binding to human D4 d... | - |
| D(2) dopamine receptor | IC50 | = | 2420.0 | nM | 5.62 | Inhibitory concentration against binding of [3H]spiperone to human D2 dopaminerg... | - |
| D(2) dopamine receptor | Ki | = | 11400.0 | nM | 4.94 | Potency was measured by the displacement of [3H]spiperone binding to human D2 do... | - |
| D(4) dopamine receptor | IC50 | = | 47500.0 | nM | 4.32 | Inhibitory concentration against binding of [3H]spiperone to human D4 dopaminerg... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00194-7 | D(2) dopamine receptor | 2 |
| - | 10.1016/S0960-894X(97)00194-7 | D(4) dopamine receptor | 2 |
| - | 10.1016/S0960-894X(97)00194-7 | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine