Compound Detail
CHEMBL1788361
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Basic Information
| ChEMBL ID | CHEMBL1788361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLFQGGGGFNSJKA-LWHGMNCYSA-N |
| Parent Compound | CHEMBL284994 |
| Active Moiety | CHEMBL284994 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
5.18
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.81
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 20.0 | nM | 7.7 | Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothal... | 6492080 |
| Sodium-dependent serotonin transporter | IC50 | = | 50.0 | nM | 7.3 | Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, ... | 6492080 |
| Sodium-dependent dopamine transporter | IC50 | = | 60.0 | nM | 7.22 | Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum... | 6492080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303300 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5303300 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5303300 | U2OS | 304 |
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 9 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| 6492080 | 10.1021/jm00377a021 | Sodium-dependent dopamine transporter | 1 |
| 6492080 | 10.1021/jm00377a021 | Norepinephrine transporter | 1 |
| 6492080 | 10.1021/jm00377a021 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine