Compound Detail
CHEMBL1210769
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Basic Information
| ChEMBL ID | CHEMBL1210769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGNQEODJYRGEJX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
0.50
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.31 | 395.7 | 2 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 14 CHEMBL5888 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 395.66 | nM | 6.4 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 596.74 | nM | 6.22 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotid... | 26910725 |
| Mitogen-activated protein kinase kinase kinase 14 | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mi... | 20580552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20580552 | 10.1016/j.bmcl.2010.06.027 | Mitogen-activated protein kinase kinase kinase 14 | 2 |
| 26910725 | 10.1021/acs.jmedchem.5b01973 | Tyrosyl-DNA phosphodiesterase 1 | 1 |
| 26910725 | 10.1021/acs.jmedchem.5b01973 | Tyrosyl-DNA phosphodiesterase 2 | 1 |
Data from ChEMBL 36 via Core Engine