Compound Detail
CHEMBL37065
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Basic Information
| ChEMBL ID | CHEMBL37065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUFUGDYIKQCDBZ-PXNMLYILSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
3.84
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Ki 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 4.95 | 4.95 | 11220.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 900.0 | nM | 6.05 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
| Norepinephrine transporter | IC50 | = | 4200.0 | nM | 5.38 | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... | 6458703 |
| Sodium-dependent dopamine transporter | Ki | = | 11220.18 | nM | 4.95 | Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig... | 11063611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6458703 | 10.1021/jm00144a025 | Norepinephrine transporter | 2 |
| 6458703 | 10.1021/jm00144a025 | Sodium-dependent serotonin transporter | 2 |
| 11063611 | 10.1021/jm990472s | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine