Compound Detail
CHEMBL1709906
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 | CHEMBL1709906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCAUOKFPSQKCAA-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.70
ALogP
4
HBA
1
HBD
51.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.78 | 6.78 | 165.2 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.71 | 5.12 | 1970.0 | 3 |
| Hexokinase CHEMBL1741201 | IC50 | 5.17 | 5.17 | 6690.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 165.2 | nM | 6.78 | Inhibition of SARS-CoV-2 main protease using Mca-AVLQSGFRK(Dnp)K as substrate pr... | 34998903 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 1970.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Hexokinase | IC50 | = | 6690.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Confirmation assay for inhibitors of Trypanosoma brucei hexoki... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 14300.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 15600.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21903403 | 10.1016/j.bmc.2011.08.029 | Candida albicans | 2 |
| 34998903 | 10.1016/j.bmcl.2022.128526 | Replicase polyprotein 1ab | 2 |
Data from ChEMBL 36 via Core Engine