Compound Detail
CHEMBL510394
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Basic Information
| ChEMBL ID | CHEMBL510394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARKKGZQTGXJVKW-VPCXQMTMSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
16
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
-1.48
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 4 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 27.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase assessed as redu... | 25650256 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of HCV genotype 2a NS5B RNA dependent RNA polymerase assessed as redu... | 25650256 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of HCV genotype 3a NS5B RNA dependent RNA polymerase assessed as redu... | 25650256 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of HCV genotype 4a NS5B RNA dependent RNA polymerase assessed as redu... | 25650256 |
| Hepatitis C virus | EC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against HCV genotype 1b Con1 expressing NS3 protease infected... | 28835346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698842 | 10.1074/jbc.m705274200 | Hepatitis C virus | 6 |
| 17562805 | 10.1128/aac.00193-07 | ADMET | 6 |
| 28595015 | 10.1021/acs.jmedchem.7b00067 | Hepatitis C virus | 6 |
| 25650256 | 10.1016/j.bmcl.2015.01.021 | Unchecked | 4 |
| 30685524 | 10.1016/j.ejmech.2019.01.025 | ADMET | 3 |
| 16107149 | 10.1021/jm0502788 | NON-PROTEIN TARGET | 2 |
| 16107149 | 10.1021/jm0502788 | Huh-7 | 2 |
| 17999967 | 10.1128/aac.01184-07 | Hepatitis C virus | 2 |
| 25650256 | 10.1016/j.bmcl.2015.01.021 | Hepatitis C virus | 2 |
| 17999967 | 10.1128/aac.01184-07 | Uridine-cytidine kinase 1 | 1 |
| 17999967 | 10.1128/aac.01184-07 | Deoxycytidine kinase | 1 |
| 17999967 | 10.1128/aac.01184-07 | Thymidine kinase, cytosolic | 1 |
| 17999967 | 10.1128/aac.01184-07 | Thymidine kinase 2, mitochondrial | 1 |
| 17999967 | 10.1128/aac.01184-07 | Hepatocyte | 1 |
| 28835346 | 10.1016/j.bmcl.2017.08.029 | Hepatitis C virus | 1 |
| 28835346 | 10.1016/j.bmcl.2017.08.029 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine