Compound Detail
CHEMBL145589
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 | CHEMBL145589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZEMKJNZWPMHNH-LOLGDRDZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
3.45
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.65 | 6.65 | 222.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.43 | 6.43 | 368.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 222.0 | nM | 6.65 | Compound was evaluated for its ability to displace [3H]mazindol binding from rat... | 1469704 |
| Rattus norvegicus | IC50 | = | 368.0 | nM | 6.43 | Compound was evaluated for its ability to inhibit high-affinity uptake of [3H]do... | 1469704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469704 | 10.1021/jm00103a015 | Sodium-dependent dopamine transporter | 1 |
| 1469704 | 10.1021/jm00103a015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine