Compound Detail
CHEMBL272003
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Basic Information
| ChEMBL ID | CHEMBL272003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWMWTNKSRCRPSI-WMZOPIPTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.52
ALogP
4
HBA
1
HBD
30.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.69 | 8.69 | 2.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.04 | 7.04 | 90.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | Ki | = | 2.06 | nM | 8.69 | Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells | 17983754 |
| Sodium-dependent serotonin transporter | Ki | = | 90.88 | nM | 7.04 | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | 17983754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17983754 | 10.1016/j.bmc.2007.10.025 | Unchecked | 2 |
| 17983754 | 10.1016/j.bmc.2007.10.025 | Sodium-dependent noradrenaline transporter | 1 |
| 17983754 | 10.1016/j.bmc.2007.10.025 | Sodium-dependent serotonin transporter | 1 |
| 17983754 | 10.1016/j.bmc.2007.10.025 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine