Compound Detail
CHEMBL376594
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Basic Information
| ChEMBL ID | CHEMBL376594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKBZSGBDUUAQKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
4.07
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transporter CHEMBL6197 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transporter | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]WIN-35428 from DAT in rhesus monkey caudate-putamen | 17070057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17070057 | 10.1016/j.bmc.2006.10.016 | Transporter | 1 |
| 17070057 | 10.1016/j.bmc.2006.10.016 | Sodium-dependent serotonin transporter | 1 |
| 17070057 | 10.1016/j.bmc.2006.10.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine