Compound Detail
CHEMBL1728676
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Basic Information
| ChEMBL ID | CHEMBL1728676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNWSLHUVQSYOBD-NTMALXAHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.7
MW (Da)
3.00
ALogP
6
HBA
0
HBD
68.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Feline immunodeficiency virus CHEMBL613744 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Feline immunodeficiency virus | EC50 | = | 290.0 | nM | 6.54 | Antiviral activity against Feline immunodeficiency virus infected in IL2 indepen... | 35653871 |
| Mannose-6-phosphate isomerase | IC50 | = | 23000.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35653871 | 10.1016/j.bmc.2022.116834 | Unchecked | 3 |
| 35653871 | 10.1016/j.bmc.2022.116834 | Feline immunodeficiency virus | 1 |
| 35653871 | 10.1016/j.bmc.2022.116834 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine