Compound Detail
CHEMBL591804
NAVURIDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL591804 |
| Name | NAVURIDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZSNNBSPEFVIUDS-SHYZEUOFSA-N |
4
Targets
9
Activities
2
Assay Types
8
PK Parameters
20
Publications
5
Known Names
Molecular Properties
253.2
MW (Da)
-0.50
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 5.56
EC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.8 | 6.75 | 160.0 | 2 |
| ADMET CHEMBL612558 | EC50 | 6.75 | 6.725 | 180.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 5.56 | 4.86 | 2760.0 | 2 |
| Vero CHEMBL391 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 25830.0 | ng.hr.mL-1 | - |
| AUC | 2090.0 | ng.hr.mL-1 | - |
| AUC | 25790.0 | ng.hr.mL-1 | - |
| AUC | 11430.0 | ng.hr.mL-1 | - |
| AUC | 42260.0 | ng.hr.mL-1 | - |
| T1/2 | 0.84 | hr | - |
| T1/2 | 4.34 | hr | - |
| T1/2 | 0.89 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 160.0 | nM | 6.8 | Antiviral activity against HIV1 LAI infected in human PBM cells after 5 days | 19948402 |
| ADMET | EC50 | = | 180.0 | nM | 6.75 | Antiviral activity against HIV I strain (LAV) in human peripheral blood mononucl... | 2918508 |
| Human immunodeficiency virus 1 | EC50 | = | 200.0 | nM | 6.7 | Inhibition of HIV-1 replication in human peripheral blood mononuclear cells. | 3339606 |
| ADMET | EC50 | = | 200.0 | nM | 6.7 | In vitro anti-HIV activity was determined in peripheral blood mononuclear cells. | 2374145 |
| CCRF-CEM | IC50 | = | 2760.0 | nM | 5.56 | Concentration of compound required to inhibit 50% of viral replication of human ... | 2754712 |
| Vero | IC50 | = | 26000.0 | nM | 4.58 | Cytotoxicity against african green monkey Vero cells after 5 days | 19948402 |
| CCRF-CEM | IC50 | = | 69300.0 | nM | 4.16 | Cytotoxicity against human CEM cells after 5 days | 19948402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2374145 | 10.1021/jm00170a023 | ADMET | 8 |
| 2918508 | 10.1021/jm00123a018 | ADMET | 3 |
| 2754712 | 10.1021/jm00128a034 | Rauscher murine leukemia virus | 2 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 19948402 | 10.1016/j.bmcl.2009.11.031 | Human immunodeficiency virus 1 | 2 |
| 3172142 | 10.1021/jm00118a033 | MT4 | 2 |
| 8627600 | 10.1021/jm950620o | ADMET | 2 |
| 2342078 | 10.1021/jm00168a046 | MT4 | 2 |
| 6644738 | 10.1021/jm00366a006 | Deoxycytidine kinase | 2 |
| 6644738 | 10.1021/jm00366a006 | Thymidine kinase, cytosolic | 2 |
| 2754712 | 10.1021/jm00128a034 | Unchecked | 2 |
| 2754712 | 10.1021/jm00128a034 | CCRF-CEM | 2 |
| 3643284 | 10.1021/jm00385a033 | Moloney murine leukemia virus | 1 |
| 2342078 | 10.1021/jm00168a046 | Human immunodeficiency virus 1 | 1 |
| 6644738 | 10.1021/jm00366a006 | Sarcoma-180 | 1 |
| 3172142 | 10.1021/jm00118a033 | Human immunodeficiency virus 1 | 1 |
| 6644738 | 10.1021/jm00366a006 | L1210 | 1 |
| 3339606 | 10.1021/jm00397a011 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | Moloney murine leukemia virus | 1 |
| 6834387 | 10.1021/jm00358a016 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine