Compound Detail
CHEMBL224999
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Basic Information
| ChEMBL ID | CHEMBL224999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKZVWXQGBDMGCS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
1.90
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.0
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.0 | 4.885 | 10000.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 10000.0 | nM | 5.0 | Binding affinity to HCV 29-mer 2A RNA by MS based binding assay | 16279767 |
| Unchecked | Kd | = | 17000.0 | nM | 4.77 | Binding affinity to HCV 40-mer RNA by MS based binding assay | 16279767 |
| Hepatitis C virus | EC50 | = | 37000.0 | nM | 4.43 | Reduction of HCV RNA levels by HCV replicon assay | 16279767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279767 | 10.1021/jm050815o | Unchecked | 2 |
| 16279767 | 10.1021/jm050815o | ADMET | 1 |
| 16279767 | 10.1021/jm050815o | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine