Compound Detail
CHEMBL3897404
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
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4c(c3)-c3nc5ccccn5c3CO4)cc12
Basic Information
| ChEMBL ID | CHEMBL3897404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFSHHBWVAOSQMM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
597.6
MW (Da)
5.26
ALogP
8
HBA
1
HBD
119.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3988603 | IC50 | 8.72 | 8.645 | 1.9 | 2 |
| Genome polyprotein CHEMBL3638344 | IC50 | 8.54 | 8.41 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 1.9 | nM | 8.72 | 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... | - |
| Genome polyprotein | IC50 | = | 2.9 | nM | 8.54 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
| Genome polyprotein | IC50 | = | 5.3 | nM | 8.28 | ELISA-Based Assay: Measurement of inhibition by compounds was performed using th... | - |
Data from ChEMBL 36 via Core Engine