Compound Detail
CHEMBL4788406
VLX-600 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4788406 |
| Name | VLX-600 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | UQOSBPRTQFFUOA-SRZZPIQSSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
10
Publications
2
Known Names
Molecular Properties
317.4
MW (Da)
3.05
ALogP
6
HBA
2
HBD
91.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.43 | 5.43 | 3698.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 240.0 | nM | 6.62 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Histone deacetylase 6 | IC50 | = | 3698.0 | nM | 5.43 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 7 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 3 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| 33103432 | 10.1021/acs.jmedchem.0c01013 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine