Compound Detail
CHEMBL4792961
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCCCCCC(=O)c1ccc(COP(=O)(O)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 | CHEMBL4792961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFZLPOWALVFMEK-CQTOTRCISA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
820.8
MW (Da)
8.31
ALogP
12
HBA
4
HBD
230.0
PSA (Ų)
0.03
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.58 | 6.4267 | 260.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 30.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 260.0 | nM | 6.58 | Antiviral activity against HIV2 ROD infected in human TK-deficient CEM/0 cells a... | 33186038 |
| Human immunodeficiency virus 1 | EC50 | = | 330.0 | nM | 6.48 | Antiviral activity against HIV1 3B infected in human CEM/0 cells assessed as inh... | 33186038 |
| Human immunodeficiency virus 1 | EC50 | = | 600.0 | nM | 6.22 | 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 | 5 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | Human immunodeficiency virus 1 | 3 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | Unchecked | 3 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | CCRF-CEM | 1 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | DNA polymerase beta | 1 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | DNA polymerase alpha catalytic subunit | 1 |
| 33186038 | 10.1021/acs.jmedchem.0c01293 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine