Compound Detail
CHEMBL3323092
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Basic Information
| ChEMBL ID | CHEMBL3323092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGTGGWUXBQZEBH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
4.01
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 15.0 | nM | 7.82 | Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1... | 25050161 |
| Sodium-dependent dopamine transporter | IC50 | = | 51.0 | nM | 7.29 | Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1... | 25050161 |
| Sodium-dependent serotonin transporter | IC50 | = | 67.0 | nM | 7.17 | Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after ... | 25050161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25050161 | 10.1021/ml500053b | Sodium-dependent noradrenaline transporter | 1 |
| 25050161 | 10.1021/ml500053b | Sodium-dependent dopamine transporter | 1 |
| 25050161 | 10.1021/ml500053b | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine