Compound Detail
CHEMBL369406
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 | CHEMBL369406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRINJANLFJZAOU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
5.95
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.99 | 5.99 | 1027.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 7.0 | nM | 8.15 | In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-354... | 11300876 |
| Rattus norvegicus | IC50 | = | 10.7 | nM | 7.97 | Inhibition of dopamine reuptake ([3H]DA uptake) in rat cytosol | 11300876 |
| Norepinephrine transporter | IC50 | = | 1027.0 | nM | 5.99 | Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxa... | 11300876 |
| Sodium-dependent serotonin transporter | IC50 | = | 1590.0 | nM | 5.8 | In vitro binding affinity at serotonin transporter in rat striatum by [3H]- cita... | 11300876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300876 | 10.1021/jm000311k | Sodium-dependent dopamine transporter | 2 |
| 11300876 | 10.1021/jm000311k | Sodium-dependent serotonin transporter | 1 |
| 11300876 | 10.1021/jm000311k | Norepinephrine transporter | 1 |
| 11300876 | 10.1021/jm000311k | Rattus norvegicus | 1 |
| 11300876 | 10.1021/jm000311k | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine