Compound Detail
CHEMBL127637
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Basic Information
| ChEMBL ID | CHEMBL127637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTELDBUFGPSBQS-RITPCOANSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
294.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.7 | 5.74 | 200.0 | 3 |
| ADMET CHEMBL612558 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against Immunodeficiency virus type-1 (HIV-1) in peripheral b... | 11052795 |
| ADMET | EC50 | = | 510.0 | nM | 6.29 | In vitro anti-HIV activity in peripheral blood mononuclear cells. | 9301659 |
| Human immunodeficiency virus 1 | EC50 | = | 730.0 | nM | 6.14 | Antiviral activity against Immunodeficiency virus type-1 (HIV-1) in peripheral b... | 11052795 |
| HepG2 | EC50 | = | 1200.0 | nM | 5.92 | In vitro effective concentration against hepatitis B virus was determined in 2.2... | 9301659 |
| Hepatitis B virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against Hepatitis B virus (HBV) in 2.2.15 cells | 11052795 |
| Human immunodeficiency virus 1 | EC50 | = | 41900.0 | nM | 4.38 | Antiviral activity against Immunodeficiency virus type-1 (HIV-1) in peripheral b... | 11052795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301659 | 10.1021/jm9703698 | ADMET | 3 |
| 11052795 | 10.1021/jm990113x | Human immunodeficiency virus 1 | 3 |
| 11052795 | 10.1021/jm990113x | ADMET | 3 |
| 11052795 | 10.1021/jm990113x | CCRF-CEM | 3 |
| 11052795 | 10.1021/jm990113x | Vero | 3 |
| 9301659 | 10.1021/jm9703698 | HepG2 | 1 |
| 9301659 | 10.1021/jm9703698 | CCRF-CEM | 1 |
| 11052795 | 10.1021/jm990113x | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine