Compound Detail
CHEMBL571548
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Basic Information
| ChEMBL ID | CHEMBL571548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFMVESZOYKHDBJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
2.75
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 263.0 | ng/g | Rattus norvegicus |
| Cmax | 4384.0 | ng/g | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
| Tmax | 0.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 9000.0 | nM | 5.05 | Displacement of 3H-WIN-35428 from DAT in rat striata after 120 mins | 22546675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22546675 | 10.1016/j.bmcl.2012.04.031 | Plasma | 3 |
| 22546675 | 10.1016/j.bmcl.2012.04.031 | Brain | 3 |
| 20055453 | 10.1021/jm9014718 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 22546675 | 10.1016/j.bmcl.2012.04.031 | Sodium-dependent dopamine transporter | 1 |
| 22546675 | 10.1016/j.bmcl.2012.04.031 | Rattus norvegicus | 1 |
| 22546675 | 10.1016/j.bmcl.2012.04.031 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine