Compound Detail
CHEMBL523572
7-DEAZANEPLANOCIN A 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 | CHEMBL523572 |
| Name | 7-DEAZANEPLANOCIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZDRJOCURZSMTC-QUNWWBBNSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
-0.72
ALogP
6
HBA
5
HBD
128.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.22
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.05 | 5.825 | 900.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against HBV in human HepG2(2.2.15) cells assessed as extracel... | 19072694 |
| Hepatitis C virus | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against HCV in human Huh7 cells assessed as reduction of vira... | 19072694 |
| Hepatitis C virus | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against HCV in ET cells assessed as activity of luciferase re... | 19072694 |
| ADMET | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against human HepG2(2.2.15) cells assessed as uptake of neutral red... | 19072694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072694 | 10.1021/jm801418v | Hepatitis C virus | 3 |
| 19072694 | 10.1021/jm801418v | ADMET | 3 |
| 19072694 | 10.1021/jm801418v | Hepatitis B virus | 2 |
| 19072694 | 10.1021/jm801418v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine