Compound Detail
CHEMBL2111566
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Basic Information
| ChEMBL ID | CHEMBL2111566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNAGEIMWCSOQKU-OCCSQVGLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.21
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.93 | 6.93 | 117.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.76 | 6.76 | 173.0 | 1 |
| Dopamine receptor CHEMBL2096905 | Ki | 6.45 | 6.45 | 353.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 117.0 | nM | 6.93 | Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT ... | 8064801 |
| D(3) dopamine receptor | Ki | = | 173.0 | nM | 6.76 | Tested for in vitro binding affinity against cloned mammalian dopamine autorecep... | 8064801 |
| Dopamine receptor | Ki | = | 353.0 | nM | 6.45 | Tested for in vitro binding affinity against cloned mammalian dopamine autorecep... | 8064801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064801 | 10.1021/jm00043a013 | D(2) dopamine receptor | 4 |
| 8064801 | 10.1021/jm00043a013 | Rattus norvegicus | 4 |
| 8064801 | 10.1021/jm00043a013 | Dopamine receptor | 2 |
| 8064801 | 10.1021/jm00043a013 | D(3) dopamine receptor | 2 |
| 8064801 | 10.1021/jm00043a013 | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine