Compound Detail
CHEMBL3897765
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)NP(=O)(CO[C@H]1CO[C@@H](n2ccc(N)nc2=O)C1)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3897765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHCUHPSHHMALCV-RNXDPIIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
2.29
ALogP
10
HBA
2
HBD
144.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.32 | 4.32 | 47890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 47890.0 | nM | 4.32 | Antiviral activity against HBV ayw1 infected in human HepG2(2.2.15) cells assess... | 27748590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27748590 | 10.1021/acs.jmedchem.6b01260 | NON-PROTEIN TARGET | 6 |
| 27748590 | 10.1021/acs.jmedchem.6b01260 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine