Compound Detail
CHEMBL226090
MELLEIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL226090 |
| Name | MELLEIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWILGNNWGSNMPA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.49
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.46 | 4.46 | 35000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of HCV protease | 11170686 |
| Unchecked | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Hepatitis C virus protease | 23567947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17363259 | 10.1016/j.bmc.2007.02.052 | Unchecked | 3 |
| 17363259 | 10.1016/j.bmc.2007.02.052 | DNA polymerase beta | 1 |
| 17363259 | 10.1016/j.bmc.2007.02.052 | DNA polymerase delta catalytic subunit | 1 |
| 17363259 | 10.1016/j.bmc.2007.02.052 | DNA polymerase lambda | 1 |
| 11170686 | 10.1021/np000381u | Unchecked | 1 |
| 23567947 | 10.1016/j.ejmech.2012.12.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine