Compound Detail
CHEMBL343956
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Basic Information
| ChEMBL ID | CHEMBL343956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAUCDOKTMDOIPF-NYRFGNLRSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.63
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | IC50 | 5.37 | 5.37 | 4240.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 40.0 | nM | 7.4 | relative affinity against serotonin transporter using RTI-55 as radioligand | 9804688 |
| Mu-type opioid receptor | IC50 | = | 160.0 | nM | 6.8 | Relative affinity against Opioid receptor mu 1 in thalamus using [3H]DAMGO as ra... | 9804688 |
| Sodium-dependent dopamine transporter | IC50 | = | 3350.0 | nM | 5.47 | relative affinity against dopamine transporter using WIN-35428 as radioligand | 9804688 |
| Kappa-type opioid receptor | IC50 | = | 4240.0 | nM | 5.37 | relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-695... | 9804688 |
| Glutamate NMDA receptor | IC50 | = | 31400.0 | nM | 4.5 | relative affinity against N-methyl-D-aspartate glutamate receptor in caudate usi... | 9804688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804688 | 10.1021/jm980156y | Sodium-dependent dopamine transporter | 1 |
| 9804688 | 10.1021/jm980156y | Sodium-dependent serotonin transporter | 1 |
| 9804688 | 10.1021/jm980156y | D(1A) dopamine receptor | 1 |
| 9804688 | 10.1021/jm980156y | D(2) dopamine receptor | 1 |
| 9804688 | 10.1021/jm980156y | D(3) dopamine receptor | 1 |
| 9804688 | 10.1021/jm980156y | Mu-type opioid receptor | 1 |
| 9804688 | 10.1021/jm980156y | Kappa-type opioid receptor | 1 |
| 9804688 | 10.1021/jm980156y | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine