Compound Detail
CHEMBL3905713
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CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)OC(CO)n3c-4cc4c(F)cccc43)cc12
Basic Information
| ChEMBL ID | CHEMBL3905713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGLDGEOGVDCZEA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
644.7
MW (Da)
5.70
ALogP
8
HBA
2
HBD
126.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3988603 | IC50 | 9.05 | 8.835 | 0.9 | 2 |
| Genome polyprotein CHEMBL3638344 | IC50 | 8.96 | 8.61 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 0.9 | nM | 9.05 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 1.1 | nM | 8.96 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 2.4 | nM | 8.62 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 5.5 | nM | 8.26 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
Data from ChEMBL 36 via Core Engine