Compound Detail
CHEMBL290634
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Basic Information
| ChEMBL ID | CHEMBL290634 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUGOZIWVEXMGBE-STQMWFEESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.09
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.06 | 5.945 | 876.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 876.0 | nM | 6.06 | Ability to inhibit the uptake of norepinephrine [3H]-NE in to rat brain synaptos... | 9484508 |
| Sodium-dependent dopamine transporter | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of [3H]WIN-35428 Binding to the Dopamine Transporter in Rhesus (Macac... | 12672255 |
| Rattus norvegicus | IC50 | = | 1468.0 | nM | 5.83 | 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 |
| 19932971 | 10.1016/j.bmc.2009.10.052 | Liver carboxylesterase 1 | 2 |
| 12672255 | 10.1021/jm0205292 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine