Compound Detail
CHEMBL140784
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Basic Information
| ChEMBL ID | CHEMBL140784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKBRUIZWQZHXFL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
143.1
MW (Da)
-1.72
ALogP
5
HBA
3
HBD
117.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
IC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 7.16 | 6.425 | 70.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | EC50 | = | 70.0 | nM | 7.16 | Compound was evaluated for the inhibition of [3H]MK-801 binding at N-methyl-D-as... | 1361579 |
| Glutamate NMDA receptor | IC50 | = | 98.0 | nM | 7.01 | Compound was evaluated for the inhibition of [3H]-CGS-19,755 binding at N-methyl... | 1361579 |
| Glutamate NMDA receptor | EC50 | = | 2030.0 | nM | 5.69 | Compound was evaluated for the inhibition of [3H]norepinephrine binding at N-met... | 1361579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1361579 | 10.1021/jm00102a015 | Glutamate NMDA receptor | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine