Compound Detail
CHEMBL75342
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Basic Information
| ChEMBL ID | CHEMBL75342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHPMXTGKTXJIDI-LJQANCHMSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
5.04
ALogP
3
HBA
0
HBD
25.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
Ki 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.62 | 6.62 | 241.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.32 | 5.9 | 476.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 92.0 | nM | 7.04 | Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand i... | - |
| Adrenergic receptor alpha-2 | Ki | = | 110.0 | nM | 6.96 | Evaluated for affinity at Alpha-2 adrenergic receptor of rat brain using [3H]rau... | - |
| Adrenergic receptor alpha-1 | Ki | = | 241.0 | nM | 6.62 | Evaluated for affinity at Alpha-1 adrenergic receptor of rat brain using [3H]pra... | - |
| Rattus norvegicus | IC50 | = | 476.0 | nM | 6.32 | Evaluated for inhibition of norepinephrine, biogenic amine reuptake in synaptoso... | - |
| Rattus norvegicus | IC50 | = | 864.0 | nM | 6.06 | Evaluated for inhibition of 5-Hydroxytryptamine, biogenic amine reuptake in syna... | - |
| Rattus norvegicus | IC50 | = | 4750.0 | nM | 5.32 | Evaluated for inhibition of dopamine, biogenic amine reuptake in synaptosomal ra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00398-D | Rattus norvegicus | 3 |
| - | 10.1016/0960-894X(95)00398-D | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/0960-894X(95)00398-D | Adrenergic receptor alpha-2 | 1 |
| - | 10.1016/0960-894X(95)00398-D | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine