Compound Detail
CHEMBL5630521
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Basic Information
| ChEMBL ID | CHEMBL5630521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVVPCPBJRAQIAH-DHZHZOJOSA-N |
3
Targets
5
Activities
4
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
4.36
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.02
IC50 1 meas. best 4.9
Kd 1 meas.
Ki 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sindbis virus CHEMBL613725 | EC50 | 6.02 | 6.02 | 950.0 | 1 |
| Chikungunya virus CHEMBL4296563 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Polyprotein P1234 CHEMBL4295622 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Polyprotein P1234 CHEMBL4295622 | Ki | 4.31 | 4.31 | 48600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sindbis virus | EC50 | = | 950.0 | nM | 6.02 | Antiviral activity against SINV infected african green monkey Vero cells assesse... | 37364511 |
| Chikungunya virus | EC50 | = | 5200.0 | nM | 5.28 | Antiviral activity against CHIKV infected african green monkey Vero cells assess... | 37364511 |
| Polyprotein P1234 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of CHIKV nsP2 protease activity assessed as decrease in the fluoresce... | 37364511 |
| Polyprotein P1234 | Ki | = | 48600.0 | nM | 4.31 | Binding affinity to CHIKV nsP2 assessed as inhibition constant by measuring fluo... | 37364511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37364511 | 10.1016/j.ejmech.2023.115572 | Polyprotein P1234 | 8 |
| 37364511 | 10.1016/j.ejmech.2023.115572 | Sindbis virus | 3 |
| 37364511 | 10.1016/j.ejmech.2023.115572 | ADMET | 2 |
| 37364511 | 10.1016/j.ejmech.2023.115572 | Chikungunya virus | 2 |
| 37364511 | 10.1016/j.ejmech.2023.115572 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine