Compound Detail
CHEMBL286312
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Basic Information
| ChEMBL ID | CHEMBL286312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPFCCQUUZJDQAM-VQTJNVASSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.95
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.57 | 9.57 | 0.3 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 9.03 | 9.03 | 0.9 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.27 | nM | 9.57 | Binding affinity to SERT (unknown origin) | 28731336 |
| Norepinephrine transporter | Ki | = | 0.94 | nM | 9.03 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 1.0 | nM | 9.0 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 1.6 | nM | 8.8 | Binding affinity to DAT (unknown origin) | 28731336 |
| Sodium-dependent dopamine transporter | Ki | = | 2.6 | nM | 8.59 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| Sodium-dependent noradrenaline transporter | Ki | = | 4.1 | nM | 8.39 | Binding affinity to NET (unknown origin) | 28731336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039136 | 10.1021/jm00391a028 | Mus musculus | 3 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent dopamine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Norepinephrine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent serotonin transporter | 1 |
| 28731336 | 10.1021/acs.jmedchem.6b01827 | Sodium-dependent serotonin transporter | 1 |
| 28731336 | 10.1021/acs.jmedchem.6b01827 | Sodium-dependent noradrenaline transporter | 1 |
| 28731336 | 10.1021/acs.jmedchem.6b01827 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine