Compound Detail
CHEMBL301289
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 | CHEMBL301289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVPNUMDAUYTNLJ-RFSDDRETSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.99
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory concentration against uptake of [3H]NE into chopped cerebral cortical... | 7392028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7392028 | 10.1021/jm00180a006 | Rattus norvegicus | 3 |
| 6644745 | 10.1021/jm00366a019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine