Compound Detail
CHEMBL3938548
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Basic Information
| ChEMBL ID | CHEMBL3938548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJKBMBPPLNOFMB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
306.2
MW (Da)
3.81
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | IC50 | 5.08 | 5.08 | 8240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 8240.0 | nM | 5.08 | Inhibition of DENV2 NS2B-NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate ... | 35816877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27073054 | 10.1016/j.bmc.2016.03.060 | Staphylococcus aureus | 28 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Enterococcus faecalis | 2 |
| 35816877 | 10.1016/j.ejmech.2022.114576 | Genome polyprotein | 2 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Staphylococcus epidermidis | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Enterococcus faecium | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Enterococcus | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Listeria monocytogenes | 1 |
| 27073054 | 10.1016/j.bmc.2016.03.060 | Mycolicibacterium smegmatis | 1 |
Data from ChEMBL 36 via Core Engine