Compound Detail
CHEMBL4639002
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CCCCCCCCCCCCCCCCOC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCC)cc2)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cc(Cl)c(=O)[nH]c3=O)C[C@@H]2F)cc1.N.N
Basic Information
| ChEMBL ID | CHEMBL4639002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDJJOIHTQYXIRD-ZAIGIPHPSA-N |
| Parent Compound | CHEMBL4650822 |
| Active Moiety | CHEMBL4650822 |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1069.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.5 | 6.045 | 320.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 66.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 320.0 | nM | 6.5 | Antiviral activity against HIV2 ROD infected in human CEM/0 cells assessed as in... | 32515595 |
| Human immunodeficiency virus 1 | EC50 | = | 2590.0 | nM | 5.59 | Antiviral activity against HIV1 3B infected in human CEM/0 cells assessed as inh... | 32515595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32515595 | 10.1021/acs.jmedchem.0c00358 | Human immunodeficiency virus 1 | 3 |
| 32515595 | 10.1021/acs.jmedchem.0c00358 | No relevant target | 1 |
| 32515595 | 10.1021/acs.jmedchem.0c00358 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine