Compound Detail
CHEMBL482465
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Basic Information
| ChEMBL ID | CHEMBL482465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFZJTDBFUROXJA-LURJTMIESA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
-0.10
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.95
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.39 | 5.155 | 4040.0 | 2 |
| Hepatitis B virus CHEMBL613497 | EC50 | 4.95 | 4.95 | 11200.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.53 | 4.52 | 29240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 4040.0 | nM | 5.39 | Antiviral activity against CXCR4-tropic HIV-1 NL4-3 infected in human PHA-stimul... | 28682067 |
| Hepatitis B virus | EC50 | = | 11200.0 | nM | 4.95 | Antiviral activity against HBV ayw1 infected in human HepG2(2.2.15) cells assess... | 28682067 |
| Human immunodeficiency virus 1 | IC50 | = | 11930.0 | nM | 4.92 | Antiviral activity against CCR5 tropic HIV1 BaL infected in human PHA-stimulated... | 28682067 |
| Human immunodeficiency virus 1 | EC50 | = | 29240.0 | nM | 4.53 | Antiviral activity against CXCR4-tropic HIV-1 NL4-3 infected in human TZM-bl cel... | 28682067 |
| Human immunodeficiency virus 1 | EC50 | = | 30730.0 | nM | 4.51 | Antiviral activity against CCR5 tropic HIV1 BaL infected in human TZM-bl cells a... | 28682067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Unchecked | 5 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human immunodeficiency virus 1 | 4 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Hepatitis B virus | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human betaherpesvirus 5 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | Human alphaherpesvirus 3 | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | HEL | 2 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | TZM | 1 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | PBMC | 1 |
| 28682067 | 10.1021/acs.jmedchem.7b00416 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine