Compound Detail
CHEMBL136057
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Basic Information
| ChEMBL ID | CHEMBL136057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBRPERYKIZCGBR-HNQUOIGGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
6.48
ALogP
3
HBA
0
HBD
25.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 0.99 | nM | 9.0 | Binding affinity towards dopamine transporter (DAT) by using [125I]RTI-55 radiol... | 12213078 |
| Sodium-dependent serotonin transporter | Ki | = | 41.0 | nM | 7.39 | Binding affinity for serotonin transporter (SERT) using [125I]RTI-55 | 12213078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213078 | 10.1021/jm020264r | Sodium-dependent serotonin transporter | 2 |
| 12213078 | 10.1021/jm020264r | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine