Compound Detail
CHEMBL171106
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Basic Information
| ChEMBL ID | CHEMBL171106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORJOVSLDGBGQAL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.2
MW (Da)
3.19
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.69 | 7.69 | 20.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 7.93 | nM | 8.1 | Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl es... | 8464040 |
| Sodium-dependent serotonin transporter | IC50 | = | 20.4 | nM | 7.69 | Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus... | 8464040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8464040 | 10.1021/jm00059a010 | Sodium-dependent dopamine transporter | 1 |
| 8464040 | 10.1021/jm00059a010 | Sodium-dependent serotonin transporter | 1 |
| 8464040 | 10.1021/jm00059a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine