Compound Detail
CHEMBL416818
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 | CHEMBL416818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHPBQKOISFWYGD-ZKDDFBJFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
3.35
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.37 | 7.37 | 43.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 43.0 | nM | 7.37 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 43.0 | nM | 7.37 | Compound was evaluated for inhibition of specifically bound [3H]- cocaine (2.7 n... | 2033595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 1 |
| 2033595 | 10.1021/jm00109a029 | Sodium-dependent dopamine transporter | 1 |
| 2033595 | 10.1021/jm00109a029 | Cynomolgus monkey | 1 |
Data from ChEMBL 36 via Core Engine