Compound Detail
CHEMBL3971162
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Basic Information
| ChEMBL ID | CHEMBL3971162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDBZHXYCOOQRGE-BAJZRUMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
-0.20
ALogP
8
HBA
3
HBD
145.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.1 | 4.1 | 79580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 79580.0 | nM | 4.1 | 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 |
Data from ChEMBL 36 via Core Engine