Compound Detail
CHEMBL4877392
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
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@H](NCCCc2ccccc2)C(=O)OC2CCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4877392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APPSJRBALYDCRE-OCMITZRISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
749.9
MW (Da)
5.59
ALogP
13
HBA
3
HBD
181.8
PSA (Ų)
0.06
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.55 | 9.55 | 0.3 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.28 | nM | 9.55 | Antiviral activity against HIV-1 infected in MT4 cells assessed as reduction in ... | 34713696 |
| Hepatitis B virus | EC50 | = | 19.0 | nM | 7.72 | Antiviral activity against HBV infected in human HepG2-hNTCP cells assessed as r... | 34713696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34713696 | 10.1021/acs.jmedchem.1c01444 | Human immunodeficiency virus 1 | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | MT4 | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | ADMET | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | Hepatitis B virus | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine