Compound Detail
CHEMBL3982221
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CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)OCn3c-4cc4c(F)cccc43)cc12
Basic Information
| ChEMBL ID | CHEMBL3982221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNCCCMUULCVPRE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
614.6
MW (Da)
6.17
ALogP
7
HBA
1
HBD
106.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3638344 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Genome polyprotein CHEMBL3988603 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 2.1 | nM | 8.68 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 2.3 | nM | 8.64 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
Data from ChEMBL 36 via Core Engine