Compound Detail
CHEMBL404601
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Basic Information
| ChEMBL ID | CHEMBL404601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGHXCHHDOYUBLS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185282 |
| Active Moiety | CHEMBL1185282 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.3
MW (Da)
4.82
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4271 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 500.0 | nM | 6.3 | Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts | 18220329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18220329 | 10.1021/jm070875p | Synaptic vesicular amine transporter | 2 |
Data from ChEMBL 36 via Core Engine