Compound Detail
CHEMBL320068
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Basic Information
| ChEMBL ID | CHEMBL320068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUFSIFXLNZMWFU-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
3.56
ALogP
6
HBA
1
HBD
56.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.94 | 6.94 | 114.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | Ki | 5.61 | 5.61 | 2460.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.57 | 5.57 | 2720.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | Ki | 5.52 | 5.52 | 3050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 7.12 | nM | 8.15 | Compound is evaluated for binding affinity towards Alpha-1 adrenergic receptor i... | 9703460 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 114.0 | nM | 6.94 | Compound is evaluated for binding affinity towards 5-hydroxytryptamine 2 recepto... | 9703460 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1500.0 | nM | 5.82 | Compound is evaluated for binding affinity towards Sigma receptor using [3H]pent... | 9703460 |
| Sodium channel alpha subunits; brain (Types I, II, III) | Ki | = | 2460.0 | nM | 5.61 | Displacement of [3H]batrachotoxin from rat brain sodium channel | 9703460 |
| Adrenergic receptor alpha-2 | Ki | = | 2720.0 | nM | 5.57 | Displacement of clonidine from Alpha-2 adrenergic receptor in rat brain cortex | 9703460 |
| Sigma 2 receptor | Ki | = | 3050.0 | nM | 5.52 | Binding affinity towards Sigma 2 receptor using [3H]ifenprodil in rat brain | 9703460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703460 | 10.1021/jm970159v | D(2) dopamine receptor | 2 |
| 9703460 | 10.1021/jm970159v | Adrenergic receptor alpha-1 | 1 |
| 9703460 | 10.1021/jm970159v | Adrenergic receptor alpha-2 | 1 |
| 9703460 | 10.1021/jm970159v | Unchecked | 1 |
| 9703460 | 10.1021/jm970159v | Serotonin 1 (5-HT1) receptor | 1 |
| 9703460 | 10.1021/jm970159v | 5-hydroxytryptamine receptor 1A | 1 |
| 9703460 | 10.1021/jm970159v | Serotonin 2 (5-HT2) receptor | 1 |
| 9703460 | 10.1021/jm970159v | Sigma non-opioid intracellular receptor 1 | 1 |
| 9703460 | 10.1021/jm970159v | Sigma 2 receptor | 1 |
| 9703460 | 10.1021/jm970159v | D(3) dopamine receptor | 1 |
| 9703460 | 10.1021/jm970159v | Histamine H1 receptor | 1 |
| 9703460 | 10.1021/jm970159v | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
Data from ChEMBL 36 via Core Engine