Compound Detail
CHEMBL449654
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Basic Information
| ChEMBL ID | CHEMBL449654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFFMWFZKIJIGTL-NCWAPJAISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
3.87
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transporter CHEMBL6197 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL5453 | IC50 | 4.33 | 4.33 | 46700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transporter | IC50 | = | 58.0 | nM | 7.24 | Displacement of [3H]WIN-35428 from DAT in rhesus monkey caudate-putamen | 17070057 |
| Sodium-dependent serotonin transporter | IC50 | = | 46700.0 | nM | 4.33 | Displacement of [3H]citalopram from SERT 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