Compound Detail
CHEMBL255229
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 | CHEMBL255229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDXVSTOHMBOXGN-GOSISDBHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.14
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.14 | 7.14 | 72.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.14 | 7.14 | 72.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.14 | 7.14 | 72.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 72.0 | nM | 7.14 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 72.3 | nM | 7.14 | Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain | 19058967 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 72.0 | nM | 7.14 | Displacement of [3H]Spiperone from human 5HT2A receptor expressed in HEK293 cell... | 18783955 |
| D(2) dopamine receptor | Ki | = | 72.3 | nM | 7.14 | Binding affinity to D2 receptor (unknown origin) assessed as inhibition constant | 39038276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | D(2) dopamine receptor | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | D(1A) dopamine receptor | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | Unchecked | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | 5-hydroxytryptamine receptor 1A | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | 5-hydroxytryptamine receptor 2A | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | D(1A) dopamine receptor | 1 |
| 18783955 | 10.1016/j.bmc.2008.08.056 | D(2) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine