Compound Detail
CHEMBL322923
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Basic Information
| ChEMBL ID | CHEMBL322923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOUIJACXIRZSFY-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
311.2
MW (Da)
4.74
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL5032 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Transporter CHEMBL6197 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.29 | 5.29 | 5160.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL5453 | IC50 | 5.29 | 5.29 | 5160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 7.1 | nM | 8.15 | Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus ... | 10206550 |
| Sodium-dependent dopamine transporter | IC50 | = | 7.1 | nM | 8.15 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (m... | 10956207 |
| Transporter | IC50 | = | 7.1 | nM | 8.15 | Displacement of [3H]WIN-35428 from DAT in rhesus monkey caudate-putamen | 17070057 |
| Sodium-dependent serotonin transporter | IC50 | = | 5160.0 | nM | 5.29 | Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolg... | 10206550 |
| Sodium-dependent serotonin transporter | IC50 | = | 5160.0 | nM | 5.29 | Inhibition of [3H]citalopram binding to the serotonin transporter in cynomolgus ... | 10956207 |
| Sodium-dependent serotonin transporter | IC50 | = | 5160.0 | nM | 5.29 | Displacement of [3H]citalopram from SERT in rhesus monkey caudate-putamen | 17070057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10206550 | 10.1016/s0960-894x(99)00098-0 | Sodium-dependent dopamine transporter | 1 |
| 10206550 | 10.1016/s0960-894x(99)00098-0 | Sodium-dependent serotonin transporter | 1 |
| 10956207 | 10.1021/jm000191g | Sodium-dependent dopamine transporter | 1 |
| 10956207 | 10.1021/jm000191g | Sodium-dependent serotonin transporter | 1 |
| 10956207 | 10.1021/jm000191g | Monoamine transporters; serotonin & dopamine | 1 |
| 17070057 | 10.1016/j.bmc.2006.10.016 | Transporter | 1 |
| 17070057 | 10.1016/j.bmc.2006.10.016 | Sodium-dependent serotonin transporter | 1 |
| 17070057 | 10.1016/j.bmc.2006.10.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine