Compound Detail
CHEMBL138016
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Basic Information
| ChEMBL ID | CHEMBL138016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USCDQJSWUSGRCX-NTISSMGPSA-N |
| Parent Compound | CHEMBL1180675 |
| Active Moiety | CHEMBL1180675 |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.88
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.92 | 7.44 | 12.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.56 | 7.56 | 27.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.64 | 6.64 | 228.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.59 | 6.59 | 256.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.0 | 6.0 | 990.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.79 | 5.79 | 1624.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 12.0 | nM | 7.92 | In vitro binding affinity to rat striatal Dopamine receptor D2 was determined us... | 9435894 |
| D(3) dopamine receptor | Ki | = | 27.6 | nM | 7.56 | Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioli... | 9435894 |
| D(2) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | In vitro binding affinity to rat striatal Dopamine receptor D2 was determined us... | 9435894 |
| D(2) dopamine receptor | Ki | = | 228.0 | nM | 6.64 | Binding affinity at human Dopamine receptor D2 (hD2) using [3H]spiperone radioli... | 9435894 |
| D(4) dopamine receptor | Ki | = | 256.0 | nM | 6.59 | Binding affinity at human Dopamine receptor D4 (hD4) using [3H]spiperone radioli... | 9435894 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 990.0 | nM | 6.0 | In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was... | 9435894 |
| Adrenergic receptor alpha-1 | Ki | = | 1624.0 | nM | 5.79 | In vitro binding affinity against rat cortical homogenate Alpha-1 adrenergic rec... | 9435894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435894 | 10.1021/jm9703653 | D(2) dopamine receptor | 4 |
| 9435894 | 10.1021/jm9703653 | 5-hydroxytryptamine receptor 1A | 1 |
| 9435894 | 10.1021/jm9703653 | Adrenergic receptor alpha-1 | 1 |
| 9435894 | 10.1021/jm9703653 | D(3) dopamine receptor | 1 |
| 9435894 | 10.1021/jm9703653 | D(4) dopamine receptor | 1 |
| 9435894 | 10.1021/jm9703653 | Mus musculus | 1 |
| 9435894 | 10.1021/jm9703653 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine