Compound Detail
CHEMBL2105282
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 | CHEMBL2105282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGTZMJIMMUNLQD-STYNFMPRSA-N |
| Parent Compound | CHEMBL383921 |
| Active Moiety | CHEMBL383921 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.19
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 5.0 | nM | 8.3 | Inhibition of the Norepinephrine transporter (NET, SLC6A2) as assessed by GPCR-m... | 34112854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34112854 | 10.1038/s41598-021-91700-7 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine