Compound Detail
CHEMBL4645259
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CCCCCCCCCCCCCCCCOC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCC)cc2)OP(=O)(O)OP(=O)(O)OC[C@@H]2CC[C@H](n3cnc4c(=O)[nH]cnc43)O2)cc1.N.N
Basic Information
| ChEMBL ID | CHEMBL4645259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCKVDCUHYDOYER-FYABNJBESA-N |
| Parent Compound | CHEMBL4650663 |
| Active Moiety | CHEMBL4650663 |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1041.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.03 | 5.9167 | 930.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.5 | hr | Sus scrofa |
| T1/2 | 1.57 | hr | Homo sapiens |
| T1/2 | 41.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 930.0 | nM | 6.03 | Antiviral activity against HIV1 3B infected in human CEM/0 cells assessed as inh... | 32515595 |
| Human immunodeficiency virus 1 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against HIV2 ROD infected in human CEM/0 cells assessed as in... | 32515595 |
| Human immunodeficiency virus 1 | EC50 | = | 1890.0 | nM | 5.72 | Antiviral activity against HIV2 ROD infected in human TK-deficient CEM/TK(-) cel... | 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 | Unchecked | 1 |
| 32515595 | 10.1021/acs.jmedchem.0c00358 | ADMET | 1 |
| 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