Compound Detail
CHEMBL444592
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Basic Information
| ChEMBL ID | CHEMBL444592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGRLTUHUYGCCLF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
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 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.48 | 7.36 | 33.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 4.97 | 4.97 | 10657.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 33.0 | nM | 7.48 | Affinity was evaluated using [3H]WIN-35428 (radioligand) on Cloned human Dopamin... | 9703474 |
| Sodium-dependent dopamine transporter | IC50 | = | 58.0 | nM | 7.24 | Affinity was evaluated using [3H]DA (radioligand) on Cloned human Dopamine trans... | 9703474 |
| Sodium-dependent serotonin transporter | IC50 | = | 10657.0 | nM | 4.97 | Affinity was evaluated using [3H]citalopram (radioligand) on human serotonin tra... | 9703474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703474 | 10.1021/jm980066t | Sodium-dependent dopamine transporter | 2 |
| 9703474 | 10.1021/jm980066t | Sodium-dependent serotonin transporter | 1 |
| 9703474 | 10.1021/jm980066t | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine