Compound Detail
CHEMBL3956781
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CN(c1cc2oc(-c3ccc(F)cc3)c(C(N)=O)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CO2)S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL3956781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJHAQVYWJBEAIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
600.6
MW (Da)
5.91
ALogP
7
HBA
1
HBD
120.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3988603 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Genome polyprotein CHEMBL3638344 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 2.2 | nM | 8.66 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 2.7 | nM | 8.57 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
Data from ChEMBL 36 via Core Engine