Compound Detail
CHEMBL4785596
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CCCCCCCCCCCCCCCCCC(=O)c1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCC)cc2)OP(=O)(O)OP(=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1
Basic Information
| ChEMBL ID | CHEMBL4785596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBCAOHCJZRKEKU-FAMHTFGDSA-N |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1039.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.4 | 6.24 | 400.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | Sus scrofa |
| T1/2 | 109.0 | hr | - |
| T1/2 | 6.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against HIV2 ROD infected in human TK-deficient CEM/0 cells a... | 33186038 |
| Human immunodeficiency virus 1 | EC50 | = | 440.0 | nM | 6.36 | Antiviral activity against HIV1 3B infected in human CEM/0 cells assessed as inh... | 33186038 |
| Human immunodeficiency virus 1 | EC50 | = | 1100.0 | nM | 5.96 | Antiviral activity against HIV2 ROD infected in human CEM/0 cells assessed as in... | 33186038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33186038 | 10.1021/acs.jmedchem.0c01293 | ADMET | 7 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | Unchecked | 3 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | Human immunodeficiency virus 1 | 3 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | No relevant target | 1 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine