Compound Detail
CHEMBL3105836
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
Basic Information
| ChEMBL ID | CHEMBL3105836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJJUKZPBUMCSJZ-BQYQJAHWSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
17
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.53
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 6.68 | 6.68 | 207.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.82 | 5.82 | 1498.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 46.2 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 5.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 207.0 | nM | 6.68 | Inhibition of PFKFB3 (unknown origin) | 25288186 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 207.0 | nM | 6.68 | Inhibition of PFKFB3 (unknown origin) | 32679452 |
| Histone deacetylase 6 | IC50 | = | 1498.0 | nM | 5.82 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Escherichia coli | 3 |
| 24398380 | 10.1016/j.bmc.2013.12.041 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus epidermidis | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus aureus | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Enterococcus faecalis | 2 |
| 32679452 | 10.1016/j.ejmech.2020.112612 | ADMET | 2 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
| - | 10.6019/EOS300044 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/EOS300041 | Replicase polyprotein 1ab | 1 |
| 32679452 | 10.1016/j.ejmech.2020.112612 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 1 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Acinetobacter baumannii | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 25288186 | 10.1016/j.bmcl.2014.09.041 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 1 |
Data from ChEMBL 36 via Core Engine