Compound Detail
CHEMBL356030
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Basic Information
| ChEMBL ID | CHEMBL356030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCAMCDYOMMHOJE-ZIAGYGMSSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.09
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.14 | 6.915 | 73.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.08 | 7.075 | 83.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 73.0 | nM | 7.14 | Ability to inhibit the uptake of norepinephrine [3H]-NE in to rat brain synaptos... | 9484508 |
| Sodium-dependent dopamine transporter | IC50 | = | 83.0 | nM | 7.08 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
| Sodium-dependent dopamine transporter | IC50 | = | 85.11 | nM | 7.07 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
| Rattus norvegicus | IC50 | = | 205.0 | nM | 6.69 | Ability to inhibit the uptake of dopamine [3H]DA in to rat brain synaptosomes | 9484508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484508 | 10.1021/jm970620j | Rattus norvegicus | 2 |
| 9484508 | 10.1021/jm970620j | Unchecked | 2 |
| 20846865 | 10.1016/j.bmc.2010.08.034 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine