Compound Detail
CHEMBL238915
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Basic Information
| ChEMBL ID | CHEMBL238915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEKRAVIJSVJVBT-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
434.0
MW (Da)
3.09
ALogP
5
HBA
0
HBD
60.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.75 | 6.75 | 177.0 | 2 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.64 | 6.64 | 230.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.54 | 6.54 | 287.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 36.0 | nM | 7.44 | Displacement of [3H]spiperone from human Dopamine D4.4 receptor expressed in CHO... | 17576067 |
| D(4) dopamine receptor | Ki | = | 36.0 | nM | 7.44 | Binding affinity to human D4R | 33839253 |
| D(2) dopamine receptor | Ki | = | 177.0 | nM | 6.75 | Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expre... | 17576067 |
| D(2) dopamine receptor | Ki | = | 177.0 | nM | 6.75 | Displacement of [3H]-raclopride from human D2R expressed in human HEK293 cells | 33839253 |
| D(1B) dopamine receptor | Ki | = | 230.0 | nM | 6.64 | Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK29... | 17576067 |
| D(1B) dopamine receptor | Ki | = | 230.0 | nM | 6.64 | Binding affinity to human D5R | 33839253 |
| D(3) dopamine receptor | Ki | = | 287.0 | nM | 6.54 | Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO c... | 17576067 |
| D(3) dopamine receptor | Ki | = | 287.0 | nM | 6.54 | Binding affinity to human D3R | 33839253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(2) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(1B) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(3) dopamine receptor | 2 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | Unchecked | 2 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 1A | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | Adrenergic receptor alpha-1 | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | D(2) dopamine receptor | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | D(3) dopamine receptor | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | D(4) dopamine receptor | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | D(1B) dopamine receptor | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 2A | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 2C | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine