Compound Detail
CHEMBL81317
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
Basic Information
| ChEMBL ID | CHEMBL81317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVXWAODOCNVXHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
-0.73
ALogP
9
HBA
4
HBD
166.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | EC50 | = | 5000.0 | nM | 5.3 | In vitro concentration required to inhibit HBV DNA secretion by HepG2.2.15 trans... | 12852943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852943 | 10.1016/s0960-894x(03)00496-7 | MT4 | 2 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | ADMET | 2 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | Unchecked | 1 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | NON-PROTEIN TARGET | 1 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine