Compound Detail
CHEMBL163614
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Basic Information
| ChEMBL ID | CHEMBL163614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVFPUHUDFWIBQR-JLVJUDLZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.17
ALogP
7
HBA
1
HBD
111.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL2986 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1090.0 | nM | 5.96 | In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue | 1995895 |
| Rattus norvegicus | IC50 | = | 5700.0 | nM | 5.24 | Compound was evaluated in vitro, for the ability to inhibit [3H]- dopamine uptak... | 1995895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995895 | 10.1021/jm00106a035 | Sodium-dependent dopamine transporter | 1 |
| 1995895 | 10.1021/jm00106a035 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine