Compound Detail
CHEMBL137719
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Basic Information
| ChEMBL ID | CHEMBL137719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACUBOAOOZIDJOY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.49
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.31 | 7.31 | 48.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 48.6 | nM | 7.31 | In vitro inhibition of [3H]WIN-35 428 binding to dopamine transporter on rat str... | 9016326 |
| Sodium-dependent serotonin transporter | IC50 | = | 680.0 | nM | 6.17 | In vitro inhibition of [3H]citalopram binding to serotonin transporter on rat st... | 9016326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 9016326 | 10.1021/jm960638e | Sodium-dependent dopamine transporter | 1 |
| 9016326 | 10.1021/jm960638e | Sodium-dependent serotonin transporter | 1 |
| 9016326 | 10.1021/jm960638e | Monoamine transporters; serotonin & dopamine | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine