Compound Detail
CHEMBL327263
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Basic Information
| ChEMBL ID | CHEMBL327263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSTMABOREYEUNT-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2096905 | Ki | 7.68 | 6.905 | 21.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.66 | 6.945 | 22.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.41 | 6.675 | 39.0 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | Ki | = | 21.0 | nM | 7.68 | Tested for in vitro binding affinity against cloned mammalian dopamine autorecep... | 8064801 |
| D(3) dopamine receptor | Ki | = | 22.0 | nM | 7.66 | Tested for in vitro binding affinity against cloned mammalian dopamine autorecep... | 8064801 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 39.0 | nM | 7.41 | Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT ... | 8064801 |
| D(2) dopamine receptor | Ki | = | 64.0 | nM | 7.19 | Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors usi... | 8064801 |
| D(3) dopamine receptor | Ki | = | 587.0 | nM | 6.23 | Tested for in vitro binding affinity against cloned mammalian dopamine autorecep... | 8064801 |
| Dopamine receptor | Ki | = | 744.0 | nM | 6.13 | Tested for in vitro binding affinity against cloned mammalian dopamine autorecep... | 8064801 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1140.0 | nM | 5.94 | Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT ... | 8064801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064801 | 10.1021/jm00043a013 | Rattus norvegicus | 7 |
| 8064801 | 10.1021/jm00043a013 | D(2) dopamine receptor | 3 |
| 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