Compound Detail
CHEMBL1698715
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Basic Information
| ChEMBL ID | CHEMBL1698715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTMGCXDRWXHOND-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.97
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.11 | 4.915 | 7791.0 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.06 | 5.06 | 8673.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7791.0 | nM | 5.11 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 8673.0 | nM | 5.06 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| Unchecked | IC50 | = | 18904.0 | nM | 4.72 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
Data from ChEMBL 36 via Core Engine