Compound Detail
CHEMBL147483
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Basic Information
| ChEMBL ID | CHEMBL147483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMGWJLOIEDIFJI-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
1.64
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Ki 3 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.2 | 9.2 | 0.6 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.55 | 6.55 | 283.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.63 | nM | 9.2 | Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as ra... | 12477356 |
| D(4) dopamine receptor | IC50 | = | 1.0 | nM | 9.0 | In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]YM-09151... | 9822559 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 27.0 | nM | 7.57 | Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal me... | 12477356 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 30.0 | nM | 7.52 | Binding affinity was measured at the serotonin 5-hydroxytryptamine 1A receptor u... | 9822559 |
| Adrenergic receptor alpha-1 | Ki | = | 283.0 | nM | 6.55 | Binding affinity towards Alpha-1 adrenergic receptor from rat cortical membranes | 12477356 |
| Adrenergic receptor alpha-1 | IC50 | = | 340.0 | nM | 6.47 | Binding affinity was measured at the Alpha-1 adrenergic receptor using [3H]prazo... | 9822559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477356 | 10.1021/jm020952a | D(3) dopamine receptor | 2 |
| 12477356 | 10.1021/jm020952a | D(2) dopamine receptor | 2 |
| 12477356 | 10.1021/jm020952a | D(4) dopamine receptor | 1 |
| 12477356 | 10.1021/jm020952a | 5-hydroxytryptamine receptor 1A | 1 |
| 12477356 | 10.1021/jm020952a | Adrenergic receptor alpha-1 | 1 |
| 12477356 | 10.1021/jm020952a | No relevant target | 1 |
| 9822559 | 10.1021/jm981041x | D(4) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | D(2) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | 5-hydroxytryptamine receptor 1A | 1 |
| 9822559 | 10.1021/jm981041x | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine