Compound Detail
CHEMBL1721855
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Basic Information
| ChEMBL ID | CHEMBL1721855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEGQPXPIKZELFM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1184529 |
| Active Moiety | CHEMBL1184529 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
1.98
ALogP
2
HBA
2
HBD
55.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.03 | 5.52 | 945.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 945.0 | nM | 6.03 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 5390.0 | nM | 5.27 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Unchecked | IC50 | = | 5494.0 | nM | 5.26 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine