Compound Detail
CHEMBL36864
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Basic Information
| ChEMBL ID | CHEMBL36864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJBZBGVEDKSOHI-NVNXTCNLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.8
MW (Da)
3.39
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 6.92 | 6.44 | 120.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.7 | 6.5 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... | 6458703 |
| Sodium-dependent serotonin transporter | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
| Sodium-dependent serotonin transporter | IC50 | = | 500.0 | nM | 6.3 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
| Norepinephrine transporter | IC50 | = | 1100.0 | nM | 5.96 | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... | 6458703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6458703 | 10.1021/jm00144a025 | Norepinephrine transporter | 4 |
| 6458703 | 10.1021/jm00144a025 | Sodium-dependent serotonin transporter | 4 |
Data from ChEMBL 36 via Core Engine