Compound Detail
CHEMBL3818940
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Basic Information
| ChEMBL ID | CHEMBL3818940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGFWRFDEYGDLSQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
4.79
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.64 | 6.64 | 229.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.36 | 6.36 | 438.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.03 | 6.03 | 942.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.5 | 5.5 | 3153.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.22 | 5.22 | 5970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 229.0 | nM | 6.64 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 recepto... | 27364609 |
| D(2) dopamine receptor | Ki | = | 438.0 | nM | 6.36 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 recepto... | 27364609 |
| D(3) dopamine receptor | Ki | = | 942.0 | nM | 6.03 | Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 recepto... | 27364609 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3153.0 | nM | 5.5 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated fo... | 27364609 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5970.0 | nM | 5.22 | Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated f... | 27364609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27364609 | 10.1016/j.bmc.2016.06.011 | D(3) dopamine receptor | 1 |
| 27364609 | 10.1016/j.bmc.2016.06.011 | D(4) dopamine receptor | 1 |
| 27364609 | 10.1016/j.bmc.2016.06.011 | D(2) dopamine receptor | 1 |
| 27364609 | 10.1016/j.bmc.2016.06.011 | 5-hydroxytryptamine receptor 1A | 1 |
| 27364609 | 10.1016/j.bmc.2016.06.011 | 5-hydroxytryptamine receptor 2A | 1 |
| 27364609 | 10.1016/j.bmc.2016.06.011 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine