Compound Detail
CHEMBL407641
MEZILAMINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL407641 |
| Name | MEZILAMINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ITYXRJDDBZMFAY-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
2
Known Names
Molecular Properties
287.8
MW (Da)
1.65
ALogP
6
HBA
1
HBD
44.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 7 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.27 | 8.27 | 5.4 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.05 | 7.985 | 9.0 | 2 |
| Dopamine receptor CHEMBL2093868 | Ki | 7.4 | 7.4 | 40.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5.4 | nM | 8.27 | Binding affinity to Dopamine receptor D2 was determined | 11354362 |
| Adrenergic receptor alpha-2 | Ki | = | 9.0 | nM | 8.05 | In vitro binding affinity was measured as the inhibition of [3H]clonidine bindin... | 3016265 |
| Adrenergic receptor alpha-2 | Ki | = | 12.0 | nM | 7.92 | Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortica... | 3016265 |
| Dopamine receptor | Ki | = | 40.0 | nM | 7.4 | In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H... | 3016265 |
| Dopamine receptor | Ki | = | 40.0 | nM | 7.4 | In vitro ability to displace [3H]spiroperidol from rat dopamine receptor | 7154006 |
| Adrenergic receptor alpha-1 | Ki | = | 91.0 | nM | 7.04 | In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding ... | 3016265 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 430.0 | nM | 6.37 | Binding affinity to 5-hydroxytryptamine 1A receptor was determined | 11354362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3016265 | 10.1021/jm00158a013 | Adrenergic receptor alpha-2 | 2 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | D(2) dopamine receptor | 1 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | D(4) dopamine receptor | 1 |
| 11354362 | 10.1016/s0960-894x(01)00167-6 | 5-hydroxytryptamine receptor 1A | 1 |
| 3016265 | 10.1021/jm00158a013 | Dopamine receptor | 1 |
| 3016265 | 10.1021/jm00158a013 | Adrenergic receptor alpha-1 | 1 |
| 7154006 | 10.1021/jm00354a014 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine