Compound Detail
CHEMBL300589
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Basic Information
| ChEMBL ID | CHEMBL300589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXRGZNYSEHTMHC-NKWVEPMBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-1.31
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Hepatoma cell line CHEMBL614821 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 2400.0 | nM | 5.62 | Effective concentration against HIV-1 in peripheral blood mononuclear cells (PBM... | 1597854 |
| Hepatoma cell line | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity against hepatitis B virus in human hepatoma cell line (2.2.15... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1597854 | 10.1021/jm00089a007 | ADMET | 2 |
| 1597854 | 10.1021/jm00089a007 | Vero | 1 |
| - | 10.1016/0960-894X(95)00343-R | Hepatoma cell line | 1 |
Data from ChEMBL 36 via Core Engine