Compound Detail
CHEMBL303021
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Basic Information
| ChEMBL ID | CHEMBL303021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXWVKOPRBOVXMC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
304.9
MW (Da)
4.80
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.7 | 8.3 | 2.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.01 | 7.255 | 9.8 | 2 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 2.0 | nM | 8.7 | Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, usin... | 7783152 |
| D(2) dopamine receptor | Ki | = | 9.8 | nM | 8.01 | Binding affinity against Dopamine receptor D2 expressed in CHO-K1 cells, using [... | 7783152 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.6 | nM | 7.9 | Displacement of the radioligand [3H]8-OH-DPAT from 5-hydroxytryptamine 1A recept... | 7932553 |
| D(3) dopamine receptor | Ki | = | 15.0 | nM | 7.82 | Binding affinity against Dopamine receptor D3 expressed in CHO-K1 cells, using [... | 7783152 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 23.0 | nM | 7.64 | Binding affinity against 5-hydroxytryptamine 1D receptor alpha expressed in CHO-... | 7783152 |
| D(2) dopamine receptor | Ki | = | 317.0 | nM | 6.5 | Displacement of the radioligand [3H]spiperone from D2 receptor | 7932553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932553 | 10.1021/jm00046a010 | Rattus norvegicus | 11 |
| 7783152 | 10.1021/jm00012a021 | Rattus norvegicus | 6 |
| 7932553 | 10.1021/jm00046a010 | 5-hydroxytryptamine receptor 1A | 1 |
| 7932553 | 10.1021/jm00046a010 | D(2) dopamine receptor | 1 |
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1D | 1 |
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1B | 1 |
| 7783152 | 10.1021/jm00012a021 | D(2) dopamine receptor | 1 |
| 7783152 | 10.1021/jm00012a021 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine