Compound Detail
CHEMBL427517
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Basic Information
| ChEMBL ID | CHEMBL427517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMTKQJKXINXDNW-NCELDCMTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.33
ALogP
5
HBA
0
HBD
67.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 10.0 | nM | 8.0 | inhibition concentration required against human enterovirus 71 strain 4643 was d... | 15380197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380197 | 10.1016/j.bmcl.2004.07.084 | Enterovirus A71 | 1 |
| 15380197 | 10.1016/j.bmcl.2004.07.084 | Rhabdomyosarcoma cell | 1 |
Data from ChEMBL 36 via Core Engine