Compound Detail
CHEMBL145773
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Basic Information
| ChEMBL ID | CHEMBL145773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZWQQSJMOZMVFS-TUJLOAKASA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
2.16
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.72 | 4.615 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 170.0 | nM | 6.77 | Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral c... | 8941398 |
| Glutamate NMDA receptor | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of [3H]-MK-801 binding to NMDA receptor from rat cerebral cortical sy... | 8941398 |
| Glutamate NMDA receptor | IC50 | = | 31000.0 | nM | 4.51 | 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 | 2 |
| 8941398 | 10.1021/jm960495w | Glutamate receptor ionotropic, NMDA 2C | 2 |
| 8941398 | 10.1021/jm960495w | Sodium-dependent serotonin transporter | 2 |
| 8941398 | 10.1021/jm960495w | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine