Compound Detail
CHEMBL3947223
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CCNC(=O)C1Oc2ccc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4cc3N(C)S(C)(=O)=O)nc2-c2cc3c(F)cccc3n21
Basic Information
| ChEMBL ID | CHEMBL3947223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPCKWNXIEHRMBA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
685.7
MW (Da)
5.84
ALogP
8
HBA
2
HBD
135.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3988603 | IC50 | 9.15 | 8.885 | 0.7 | 2 |
| Genome polyprotein CHEMBL3638344 | IC50 | 8.82 | 8.335 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 0.7 | nM | 9.15 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 1.5 | nM | 8.82 | 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 | = | 14.0 | nM | 7.85 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
Data from ChEMBL 36 via Core Engine