Compound Detail
CHEMBL1204138
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Basic Information
| ChEMBL ID | CHEMBL1204138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUCOJINYCJKMRH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL12628 |
| Active Moiety | CHEMBL12628 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 93.0 | nM | 7.03 | Effect on synaptosomal uptake inhibition of Dopamine transporter | 6134833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134833 | 10.1021/jm00361a002 | Rattus norvegicus | 2 |
| 6134833 | 10.1021/jm00361a002 | Mus musculus | 1 |
| 6134833 | 10.1021/jm00361a002 | Dopamine receptor | 1 |
| 6134833 | 10.1021/jm00361a002 | Sodium-dependent dopamine transporter | 1 |
| 6134833 | 10.1021/jm00361a002 | Adrenergic receptor beta | 1 |
| 6134833 | 10.1021/jm00361a002 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine