Compound Detail
CHEMBL3134413
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Basic Information
| ChEMBL ID | CHEMBL3134413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTEYSQSXRFVKTJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
328.1
MW (Da)
3.71
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 82.0 | nM | 7.09 | Inhibition of NMDA-induced nNOS/PSD95 in rat cortical neurons preincubated for 3... | 35412827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27025341 | 10.1016/j.bmcl.2016.03.074 | Brain | 6 |
| 24363888 | 10.1039/c3md00238a | Unchecked | 1 |
| 24363888 | 10.1039/c3md00238a | DNA topoisomerase 2-alpha | 1 |
| 24363888 | 10.1039/c3md00238a | DNA topoisomerase | 1 |
| 24363888 | 10.1039/c3md00238a | Escherichia coli | 1 |
| 24363888 | 10.1039/c3md00238a | Bacillus subtilis | 1 |
| 35412827 | 10.1021/acs.jmedchem.1c02194 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine