Compound Detail
CHEMBL1716155
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C[n+]1c(-c2ccccc2)cc2c(=Cc3ccccc3)c3ccccc3n21.O=S(=O)([O-])C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1716155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHSILRBCRDZVTK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1740180 |
| Active Moiety | CHEMBL1740180 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.13
ALogP
1
HBA
0
HBD
8.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.37 | 3646.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3646.0 | nM | 5.44 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Unchecked | IC50 | = | 4952.0 | nM | 5.3 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
Data from ChEMBL 36 via Core Engine