Compound Detail
CHEMBL388257
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Basic Information
| ChEMBL ID | CHEMBL388257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYPXWICAIAFXBP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.15
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.1 | 7.1 | 79.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.57 | 6.57 | 268.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 79.0 | nM | 7.1 | Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane | 17446076 |
| Sodium-dependent noradrenaline transporter | Ki | = | 268.0 | nM | 6.57 | Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane | 17446076 |
| Sodium-dependent serotonin transporter | Ki | = | 440.0 | nM | 6.36 | Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane | 17446076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17446076 | 10.1016/j.bmc.2007.03.069 | Sodium-dependent dopamine transporter | 1 |
| 17446076 | 10.1016/j.bmc.2007.03.069 | Sodium-dependent serotonin transporter | 1 |
| 17446076 | 10.1016/j.bmc.2007.03.069 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine