Compound Detail
CHEMBL5569659
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Basic Information
| ChEMBL ID | CHEMBL5569659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWLOYFHSIMGTBW-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.18
ALogP
4
HBA
1
HBD
26.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.2 | 7.2 | 63.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.1 | 6.945 | 80.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.63 | 6.055 | 232.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.61 | 5.61 | 2430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 63.4 | nM | 7.2 | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum incubated f... | 38117239 |
| Sodium-dependent dopamine transporter | Ki | = | 80.0 | nM | 7.1 | Displacement of [3H]WIN35428 from wild type human DAT expressed in COS-7 cells i... | 38117239 |
| Sodium-dependent dopamine transporter | Ki | = | 163.0 | nM | 6.79 | Inhibition of [3H]dopamine uptake from wild type human DAT expressed in COS-7 ce... | 38117239 |
| Unchecked | Ki | = | 232.0 | nM | 6.63 | Displacement of [3H]WIN35428 from human DAT Y156F mutant expessed in COS-7 cells... | 38117239 |
| Sodium-dependent serotonin transporter | Ki | = | 2430.0 | nM | 5.61 | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brainstem incubat... | 38117239 |
| Unchecked | Ki | = | 3300.0 | nM | 5.48 | Inhibition of [3H]dopamine uptake from human DAT Y335A mutant expressed in COS-7... | 38117239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38117239 | 10.1021/acs.jmedchem.3c02037 | Unchecked | 5 |
| 38117239 | 10.1021/acs.jmedchem.3c02037 | Sodium-dependent dopamine transporter | 3 |
| 38117239 | 10.1021/acs.jmedchem.3c02037 | Sodium-dependent serotonin transporter | 1 |
| 38117239 | 10.1021/acs.jmedchem.3c02037 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine