Compound Detail
CHEMBL5209629
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Basic Information
| ChEMBL ID | CHEMBL5209629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXAVEPYKEYQYMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.34
ALogP
4
HBA
2
HBD
68.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chromaffin granule amine transporter CHEMBL1838 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Synaptic vesicular amine transporter CHEMBL1893 | EC50 | 5.45 | 5.45 | 3560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chromaffin granule amine transporter | EC50 | = | 2000.0 | nM | 5.7 | Substrate uptake and inhibition of the chromaffin granule amine transporter (VAT... | - |
| Synaptic vesicular amine transporter | EC50 | = | 3560.0 | nM | 5.45 | Substrate uptake and inhibition of the Vesicular Amine Transporter 2 (VMAT2, SLC... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.5281/zenodo.7360413 | Chromaffin granule amine transporter | 1 |
| - | 10.5281/zenodo.7360403 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine