Compound Detail
CHEMBL350236
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Basic Information
| ChEMBL ID | CHEMBL350236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQCQKRSMDNIJTR-CHWSQXEVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
2.85
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.16 | 8.16 | 6.9 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.03 | 7.84 | 9.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 6.9 | nM | 8.16 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
| Sodium-dependent dopamine transporter | IC50 | = | 6.918 | nM | 8.16 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
| Rattus norvegicus | IC50 | = | 9.34 | nM | 8.03 | Ability to inhibit the uptake of norepinephrine [3H]-NE in to rat brain synaptos... | 9484508 |
| Rattus norvegicus | IC50 | = | 22.5 | nM | 7.65 | 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