Compound Detail
CHEMBL434836
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Basic Information
| ChEMBL ID | CHEMBL434836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPOJZWVZQQBQNH-XJIUDMAQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
2.33
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 23.0 | nM | 7.64 | Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral c... | 8941398 |
| Glutamate NMDA receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of [3H]-MK-801 binding to NMDA receptor from rat cerebral cortical sy... | 8941398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941398 | 10.1021/jm960495w | Glutamate NMDA receptor | 1 |
| 8941398 | 10.1021/jm960495w | Sodium-dependent serotonin transporter | 1 |
| 8941398 | 10.1021/jm960495w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine