Compound Detail
CHEMBL2364622
PEVONEDISTAT HYDROCHLORIDE Enter ChEMBL ID:
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Cl.NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2364622 |
| Name | PEVONEDISTAT HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJKDNNXKYODZJI-BVMPOVDASA-N |
| Parent Compound | CHEMBL1231160 |
| Active Moiety | CHEMBL1231160 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
6
Known Names
Molecular Properties
443.5
MW (Da)
2.06
ALogP
8
HBA
3
HBD
132.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 630.0 | nM | 6.2 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine