Compound Detail
CHEMBL371932
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Basic Information
| ChEMBL ID | CHEMBL371932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGVRYGYKGFIQTL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
5.44
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.62 | 7.415 | 24.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.45 | 6.45 | 355.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 24.0 | nM | 7.62 | Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African gre... | 29227643 |
| Sodium-dependent dopamine transporter | Ki | = | 62.0 | nM | 7.21 | Inhibition of [3H]DA uptake at wild type human DAT expressed in African green mo... | 29227643 |
| Unchecked | Ki | = | 355.0 | nM | 6.45 | Inhibition of [3H]WIN5428 uptake at human DAT Y56F mutant expressed in African g... | 29227643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29227643 | 10.1021/acs.jmedchem.7b01454 | Sodium-dependent dopamine transporter | 2 |
| 29227643 | 10.1021/acs.jmedchem.7b01454 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine