Compound Detail
CHEMBL6027458
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(NC(C(=O)N2CCc3ccc(SC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL6027458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXPMTQXVOCXSMQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
595.0
MW (Da)
6.95
ALogP
6
HBA
2
HBD
88.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5980 | EC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | EC50 | = | 0.28 | nM | 9.55 | DENV-2 Antiviral Assay: The antiviral activity of all the compounds of the inven... | - |
Data from ChEMBL 36 via Core Engine