Compound Detail
CHEMBL1689291
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Basic Information
| ChEMBL ID | CHEMBL1689291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMYTTYSMVDUXDT-QNCGTCMPSA-N |
| Parent Compound | CHEMBL1739806 |
| Active Moiety | CHEMBL1739806 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.61
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.54 | 5.81 | 28.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 28.74 | nM | 7.54 | Displacement of [3H]-paroxetine from SERT in rabbit cortical membrane | 21272963 |
| Unchecked | Ki | = | 9460.0 | nM | 5.02 | Displacement of [3H]-WIN 35,428 from DAT in rabbit striatal membrane | 21272963 |
| Unchecked | Ki | = | 13400.0 | nM | 4.87 | Displacement of [3H]-Nisoxetine from NET in rabbit cortical membrane | 21272963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21272963 | 10.1016/j.ejmech.2010.12.018 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine