Compound Detail
CHEMBL1780008
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Basic Information
| ChEMBL ID | CHEMBL1780008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRICLBURZAGDER-LYBXBRPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.95
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 6.86 | 6.86 | 137.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 137.0 | nM | 6.86 | Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal homogenate after... | 21531556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21531556 | 10.1016/j.bmcl.2011.03.113 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine