Compound Detail
CHEMBL167493
NAPAMEZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL167493 |
| Name | NAPAMEZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WETRBJOSGIDJHQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
2
Known Names
Molecular Properties
212.3
MW (Da)
2.41
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 4 meas. best 8.5
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 8.5 | 8.44 | 3.2 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.05 | 6.05 | 887.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 3.162 | nM | 8.5 | In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence... | 11262089 |
| Adrenergic receptor alpha-2 | Ki | = | 4.17 | nM | 8.38 | Ability to displace [3H]rauwolscine from Alpha-2 adrenergic receptor in rat cort... | 9089327 |
| Adrenergic receptor alpha-1 | Ki | = | 100.0 | nM | 7.0 | In vitro binding affinity against alpha-1 adrenergic receptor of rat in presence... | 11262089 |
| Sodium-dependent serotonin transporter | Ki | = | 199.53 | nM | 6.7 | In vitro binding affinity was determined against serotonin reuptake site of rat ... | 11262089 |
| Sodium-dependent serotonin transporter | IC50 | = | 887.0 | nM | 6.05 | Inhibition of uptake of [3H]5-HT in synaptosomes from rat cortex | 9089327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262089 | 10.1021/jm001040g | Adrenergic receptor alpha-1 | 1 |
| 11262089 | 10.1021/jm001040g | Adrenergic receptor alpha-2 | 1 |
| 11262089 | 10.1021/jm001040g | Sodium-dependent serotonin transporter | 1 |
| 11262089 | 10.1021/jm001040g | Norepinephrine transporter | 1 |
| 9089327 | 10.1021/jm960723m | Adrenergic receptor alpha-2 | 1 |
| 9089327 | 10.1021/jm960723m | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine