Compound Detail
CHEMBL1160508
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Basic Information
| ChEMBL ID | CHEMBL1160508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADVPTQAUNPRNPO-REOHCLBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
153.2
MW (Da)
-1.38
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 20.0 | nM | 7.7 | Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter | 17230192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691431 | 10.1021/jm9601009 | Asparagine synthetase [glutamine-hydrolyzing] | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17230192 | 10.1038/nature05455 | Unchecked | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 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