Compound Detail
CHEMBL176442
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Basic Information
| ChEMBL ID | CHEMBL176442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHMBVCPLDPDESM-RRABCLCVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
-0.09
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 4.7 | nM | 8.33 | Inhibition of [3H]GBR-12935 binding to the dopamine transporter. | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine