Compound Detail
CHEMBL1688962
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Basic Information
| ChEMBL ID | CHEMBL1688962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZDWTKFDAUOODA-CNEMSGBDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
-0.31
ALogP
9
HBA
4
HBD
142.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against Enterovirus 71 infected in human RD cells assessed as... | 26854380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20921305 | 10.1128/aac.01029-10 | Bacillus anthracis | 2 |
| 20921305 | 10.1128/aac.01029-10 | ADMET | 1 |
| 20921305 | 10.1128/aac.01029-10 | J774.A1 | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | Enterovirus A71 | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | RD | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine