Compound Detail
CHEMBL1256387
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Basic Information
| ChEMBL ID | CHEMBL1256387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVHNXFRGXWUNCK-IMTBSYHQSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
242.2
MW (Da)
-0.41
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Duck hepatitis B virus CHEMBL613761 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.7 | 5.545 | 2000.0 | 2 |
| C8166 CHEMBL614533 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against DHBV infected in duck hepatocytes assessed as inhibit... | 20857959 |
| Hepatitis B virus | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against HBV assessed as inhibition of viral DNA replication | 20857959 |
| Hepatitis B virus | EC50 | = | 4100.0 | nM | 5.39 | Antiviral activity against drug resistant HBV infected in M204I cells assessed a... | 20857959 |
| C8166 | IC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against HIV-1 (RF strain) in C8166 cells | 2165161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20857959 | 10.1021/jm100803c | Hepatitis B virus | 6 |
| 20857959 | 10.1021/jm100803c | Duck hepatitis B virus | 4 |
| 2033590 | 10.1021/jm00109a017 | HL-60 | 2 |
| 2165161 | 10.1021/jm00170a015 | C8166 | 2 |
| 2165162 | 10.1021/jm00170a017 | CCRF-CEM | 2 |
| 2033590 | 10.1021/jm00109a017 | H9 | 1 |
| 7520081 | 10.1021/jm00042a005 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 2165161 | 10.1021/jm00170a015 | Unchecked | 1 |
| 20857959 | 10.1021/jm100803c | ADMET | 1 |
Data from ChEMBL 36 via Core Engine