Compound Detail
CHEMBL2021391
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Basic Information
| ChEMBL ID | CHEMBL2021391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDGYFDPAEFUDKS-SHYZEUOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
227.2
MW (Da)
-1.86
ALogP
6
HBA
3
HBD
110.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 60000.0 | nM | 4.22 | Antiviral activity against HIV I strain (LAV) in human peripheral blood mononucl... | 2918508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6644738 | 10.1021/jm00366a006 | Thymidine kinase, cytosolic | 2 |
| 6644738 | 10.1021/jm00366a006 | Deoxycytidine kinase | 2 |
| 6854592 | 10.1021/jm00360a019 | Salmonella typhimurium | 1 |
| 6834387 | 10.1021/jm00358a016 | NON-PROTEIN TARGET | 1 |
| 6854592 | 10.1021/jm00360a019 | Proteus mirabilis | 1 |
| 6854592 | 10.1021/jm00360a019 | Proteus vulgaris | 1 |
| 6854592 | 10.1021/jm00360a019 | Citrobacter freundii | 1 |
| 6854592 | 10.1021/jm00360a019 | Klebsiella aerogenes | 1 |
| 6854592 | 10.1021/jm00360a019 | Klebsiella pneumoniae | 1 |
| 6854592 | 10.1021/jm00360a019 | Serratia marcescens | 1 |
| 6854592 | 10.1021/jm00360a019 | Escherichia coli | 1 |
| 6854592 | 10.1021/jm00360a019 | Shigella flexneri | 1 |
| 6854592 | 10.1021/jm00360a019 | Salmonella | 1 |
| 6644738 | 10.1021/jm00366a006 | L1210 | 1 |
| 6854592 | 10.1021/jm00360a019 | Pasteurella multocida | 1 |
| 6854592 | 10.1021/jm00360a019 | Vibrio cholerae | 1 |
| 6854592 | 10.1021/jm00360a019 | L cells | 1 |
| 6854592 | 10.1021/jm00360a019 | D-38 | 1 |
| 6854592 | 10.1021/jm00360a019 | Staphylococcus aureus | 1 |
| 6854592 | 10.1021/jm00360a019 | unidentified adenovirus | 1 |
Data from ChEMBL 36 via Core Engine