Compound Detail
CHEMBL2114997
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Basic Information
| ChEMBL ID | CHEMBL2114997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJKXXGNCKMQXTH-NTSWFWBYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
-1.17
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatoma cell line CHEMBL614821 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatoma cell line | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against hepatitis B virus in human hepatoma cell line (2.2.15... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00343-R | CCRF-CEM | 2 |
| - | 10.1016/0960-894X(95)00343-R | Hepatoma cell line | 1 |
| - | 10.1016/0960-894X(95)00343-R | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine