Compound Detail
CHEMBL562967
MERICITABINE 🧪 Phase II
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🧪 Phase II
CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1OC(=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL562967 |
| Name | MERICITABINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MLESJYFEMSJZLZ-MAAOGQSESA-N |
| Active Moiety | CHEMBL373691 |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
19
Publications
14
Known Names
2
Indications
1
Mechanisms
Molecular Properties
399.4
MW (Da)
1.22
ALogP
9
HBA
1
HBD
122.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| RNA-directed RNA polymerase inhibitor | INHIBITOR | RNA-directed RNA polymerase | ✓ | ✓ |
Indications
Hepatitis C Hepatitis C, Chronic
Activity Summary
EC50 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.0 | 5.96 | 990.0 | 6 |
| Unchecked CHEMBL612545 | EC50 | 5.96 | 5.96 | 1110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 990.0 | nM | 6.0 | Anti-HCV activity against Hepatitis C virus genotype 2a infected in human Huh7 r... | 28221790 |
| Hepatitis C virus | EC50 | = | 990.0 | nM | 6.0 | Antiviral activity against HCV genotype 2a infected in human Hep2 replicon cells... | 30108897 |
| Hepatitis C virus | EC50 | = | 990.0 | nM | 6.0 | Antiviral activity against Hepatitis C virus genotype 2a infected in human Huh-l... | 30281308 |
| Unchecked | EC50 | = | 1110.0 | nM | 5.96 | Inhibition of wild type NS5B in HCV genotype 1b replicon expressed in human HuH7... | 28650160 |
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Anti-HCV activity against Hepatitis C virus genotype 1b infected in human Huh7 r... | 28221790 |
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against HCV genotype 1b infected in human Hep2 replicon cells... | 30108897 |
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-l... | 30281308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108897 | 10.1039/C7MD00319F | Hepatitis C virus | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 30281308 | 10.1021/acs.jmedchem.8b01258 | Hepatitis C virus | 2 |
| 30108897 | 10.1039/C7MD00319F | Unchecked | 2 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | Hepatitis C virus | 2 |
| 20845908 | 10.1021/jm100863x | Hepatitis C virus | 2 |
| 28221790 | 10.1021/acs.jmedchem.6b01766 | Huh-7 | 1 |
| 28650160 | 10.1021/acs.jmedchem.7b00262 | Huh-7 | 1 |
| 28650160 | 10.1021/acs.jmedchem.7b00262 | Unchecked | 1 |
| 19725579 | 10.1021/jm900447q | Hepatitis C virus | 1 |
| 30108897 | 10.1039/C7MD00319F | HEp-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 23856047 | 10.1016/j.bmcl.2013.06.045 | Hepatitis C virus | 1 |
| 30281308 | 10.1021/acs.jmedchem.8b01258 | HEp-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 21050754 | 10.1016/j.bmcl.2010.10.035 | ADMET | 1 |
| 21050754 | 10.1016/j.bmcl.2010.10.035 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine