Compound Detail
CHEMBL1907644
N-BENZYLAMPHETAMINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1907644 |
| Name | N-BENZYLAMPHETAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLCDKDGHTWGGQM-CQSZACIVSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
2
Known Names
Molecular Properties
225.3
MW (Da)
3.41
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.99
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.99 | 6.99 | 103.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.93 | 6.93 | 117.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.855 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 103.0 | nM | 6.99 | Binding affinity towards sigma opioid receptor was determined in rat cerebral ho... | 1848295 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 117.0 | nM | 6.93 | Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate... | 1848295 |
| Unchecked | Ki | = | 140.0 | nM | 6.85 | Inhibition of rel+ Escherichia coli B Phe-tRNA synthetase using L-[3H]-phenylala... | 390149 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Phe-tRNA synthetase in rel+ Escherichia coli B assessed as reducti... | 390149 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Phe-tRNA synthetase in rel+ Escherichia coli B assessed as growth ... | 390149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 390149 | 10.1021/jm00196a021 | Unchecked | 29 |
| 390149 | 10.1021/jm00196a021 | Isoleucine--tRNA ligase | 6 |
| 1848295 | 10.1021/jm00107a033 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine