Compound Detail
CHEMBL2096748
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Basic Information
| ChEMBL ID | CHEMBL2096748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOMNGXWLGMNFFG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL176506 |
| Active Moiety | CHEMBL176506 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 0.3 | nM | 9.52 | Effect on synaptosomal uptake inhibition of Noradrenaline (NA) | 6134833 |
| Dopamine receptor | IC50 | = | 5.6 | nM | 8.25 | Effect on synaptosomal uptake inhibition of Dopamine receptor | 6134833 |
| Sodium-dependent serotonin transporter | IC50 | = | 440.0 | nM | 6.36 | Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT) | 6134833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134833 | 10.1021/jm00361a002 | Mus musculus | 1 |
| 6134833 | 10.1021/jm00361a002 | Dopamine receptor | 1 |
| 6134833 | 10.1021/jm00361a002 | Norepinephrine transporter | 1 |
| 6134833 | 10.1021/jm00361a002 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine