Compound Detail
CHEMBL1715007
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Basic Information
| ChEMBL ID | CHEMBL1715007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGVDRCWEAQHZQX-XFXZXTDPSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.7
MW (Da)
2.96
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.21
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Feline immunodeficiency virus CHEMBL613744 | EC50 | 6.21 | 6.21 | 620.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.38 | 5.29 | 4140.0 | 2 |
| BJ CHEMBL614358 | EC50 | 5.21 | 5.21 | 6155.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.13 | 5.13 | 7330.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.84 | 4.84 | 14324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Feline immunodeficiency virus | EC50 | = | 620.0 | nM | 6.21 | Antiviral activity against Feline immunodeficiency virus infected in IL2 indepen... | 35653871 |
| Mannose-6-phosphate isomerase | IC50 | = | 4140.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase ... | - |
| BJ | EC50 | = | 6155.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 6340.0 | nM | 5.2 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 7330.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Unchecked | EC50 | = | 14324.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
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