Compound Detail
CHEMBL5594389
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Basic Information
| ChEMBL ID | CHEMBL5594389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQKHOGMREOKNON-WEVVVXLNSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
1.76
ALogP
5
HBA
2
HBD
101.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
IC50 1 meas. best 7.5
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyprotein P1234 CHEMBL4295622 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Chikungunya virus CHEMBL4296563 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Polyprotein P1234 CHEMBL4295622 | Ki | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyprotein P1234 | IC50 | = | 31.62 | nM | 7.5 | Inhibition of 6his-tagged N/C-terminal CHIKV nsP2 (1009 to 1329 residues) extrac... | 39235978 |
| Chikungunya virus | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against CHIKV expressing 181/25-nLuc-capsid infected in human... | 39235978 |
| Polyprotein P1234 | Ki | = | 199.53 | nM | 6.7 | Binding affinity to 6his-tagged CHIKV nsP2 (1009 to 1329 residues) extracted fro... | 39235978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39235978 | 10.1021/acs.jmedchem.4c01346 | Polyprotein P1234 | 3 |
| 39235978 | 10.1021/acs.jmedchem.4c01346 | Chikungunya virus | 1 |
| 39235978 | 10.1021/acs.jmedchem.4c01346 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine