Compound Detail
CHEMBL168464
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Basic Information
| ChEMBL ID | CHEMBL168464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOWJANGMTAZWDT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL24172 |
| Active Moiety | CHEMBL24172 |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
173.3
MW (Da)
2.41
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4271 | Ki | 4.28 | 4.28 | 52500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 52500.0 | nM | 4.28 | Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts | 18220329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3485197 | 10.1021/jm00153a019 | Mus musculus | 4 |
| 18220329 | 10.1021/jm070875p | Synaptic vesicular amine transporter | 4 |
| 11689081 | 10.1021/jm010901y | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 3351860 | 10.1021/jm00399a022 | Choline O-acetyltransferase | 1 |
| 3351860 | 10.1021/jm00399a022 | Acetylcholinesterase | 1 |
| 3351860 | 10.1021/jm00399a022 | Unchecked | 1 |
| 20451395 | 10.1016/j.bmc.2010.03.079 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine