Compound Detail
CHEMBL25984
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Basic Information
| ChEMBL ID | CHEMBL25984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFJZCPCUPUMAIA-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
3.11
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL3998 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL4744 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 60.0 | nM | 7.22 | Binding affinity against D2 receptor in calf caudate nucleus | 7912735 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 199.53 | nM | 6.7 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 400.0 | nM | 6.4 | Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippoca... | 7912735 |
| Alpha-2A adrenergic receptor | IC50 | = | 20000.0 | nM | 4.7 | Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex | 7912735 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 80000.0 | nM | 4.1 | Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex | 7912735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7912735 | 10.1021/jm00038a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 7912735 | 10.1021/jm00038a007 | 5-hydroxytryptamine receptor 1B | 1 |
| 7912735 | 10.1021/jm00038a007 | 5-hydroxytryptamine receptor 2A | 1 |
| 7912735 | 10.1021/jm00038a007 | D(1A) dopamine receptor | 1 |
| 7912735 | 10.1021/jm00038a007 | D(2) dopamine receptor | 1 |
| 7912735 | 10.1021/jm00038a007 | Alpha-1A adrenergic receptor | 1 |
| 7912735 | 10.1021/jm00038a007 | Alpha-2A adrenergic receptor | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine