Compound Detail
CHEMBL4446304
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Basic Information
| ChEMBL ID | CHEMBL4446304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGCLIXGLQFSZRB-IWSPIJDZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
-0.26
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HBV genotype D CHEMBL612769 | EC50 | 7.34 | 7.34 | 45.7 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HBV genotype D | EC50 | = | 45.7 | nM | 7.34 | Antiviral activity against HBV genotype D infected in human HepG2.2.15 cells ass... | 30613328 |
| Human immunodeficiency virus 1 | EC50 | = | 770.0 | nM | 6.11 | Antiviral activity against HIV-1 3B infected in human MT2 cells assessed as inhi... | 30613328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613328 | 10.1021/acsmedchemlett.8b00374 | MT2 | 1 |
| 30613328 | 10.1021/acsmedchemlett.8b00374 | Human immunodeficiency virus 1 | 1 |
| 30613328 | 10.1021/acsmedchemlett.8b00374 | HBV genotype D | 1 |
| 30613328 | 10.1021/acsmedchemlett.8b00374 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine