Compound Detail
CHEMBL343543
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Basic Information
| ChEMBL ID | CHEMBL343543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYEWYRWGCVGNJW-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
0.80
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
EC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| m7GpppX diphosphatase CHEMBL1949488 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Cryptosporidium parvum CHEMBL612855 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| m7GpppX diphosphatase | IC50 | = | 7.9 | nM | 8.1 | Inhibition of human DcpS assessed as increase in SMN2 promoter activity | 28257199 |
| dengue virus type 2 | EC50 | = | 150.0 | nM | 6.82 | Antiviral activity against Dengue virus 2 infected in BHK-D2RepT replicon system... | 22448770 |
| Cryptosporidium parvum | IC50 | = | 3000.0 | nM | 5.52 | Antimicrobial activity against Cryptosporidium parvum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2404122 | 10.1021/jm00163a067 | Dihydrofolate reductase | 3 |
| 2404122 | 10.1021/jm00163a067 | No relevant target | 2 |
| 2404122 | 10.1021/jm00163a067 | Mus musculus | 2 |
| 2404122 | 10.1021/jm00163a067 | Staphylococcus aureus | 1 |
| 2404122 | 10.1021/jm00163a067 | Escherichia coli | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Cryptosporidium parvum | 1 |
| 22448770 | 10.1021/jm2015952 | dengue virus type 2 | 1 |
| 22448770 | 10.1021/jm2015952 | ADMET | 1 |
| 22448770 | 10.1021/jm2015952 | Unchecked | 1 |
| 28257199 | 10.1021/acs.jmedchem.7b00124 | m7GpppX diphosphatase | 1 |
| 28257199 | 10.1021/acs.jmedchem.7b00124 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine