Compound Detail
CHEMBL3417258
LUMICITABINE 🧪 Phase II
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🧪 Phase II
CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3417258 |
| Name | LUMICITABINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MJVKYGMNSQJLIN-KYZVSKTDSA-N |
| Active Moiety | CHEMBL3417243 |
1
Targets
1
Activities
1
Assay Types
15
PK Parameters
8
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
433.9
MW (Da)
1.44
ALogP
9
HBA
1
HBD
122.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| RNA-directed RNA polymerase L inhibitor | INHIBITOR | RNA-directed RNA polymerase L | ✓ | ✓ |
Indications
Respiratory Syncytial Virus Infections
Activity Summary
EC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Respiratory syncytial virus CHEMBL612679 | EC50 | 6.58 | 6.58 | 260.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1231.0 | ng.hr.mL-1 | Mesocricetus auratus |
| AUC | 2593.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1295.0 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 1025.68 | nM | Mesocricetus auratus |
| Cmax | 1620.34 | nM | Rattus norvegicus |
| Cmax | 1152.45 | nM | Macaca fascicularis |
| F | 38.2 | % | Mesocricetus auratus |
| F | 97.2 | % | Rattus norvegicus |
| F | 43.5 | % | Macaca fascicularis |
| T1/2 | 4.18 | hr | Mesocricetus auratus |
| T1/2 | 3.82 | hr | Rattus norvegicus |
| T1/2 | 4.89 | hr | Macaca fascicularis |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Tmax | 0.22 | hr | Mesocricetus auratus |
| Tmax | 2.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Respiratory syncytial virus | EC50 | = | 260.0 | nM | 6.58 | Antiviral activity against Respiratory syncytial virus subgenomic replicon syste... | 25667954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25667954 | 10.1021/jm5017279 | Rattus norvegicus | 5 |
| 25667954 | 10.1021/jm5017279 | Syrian golden hamster | 5 |
| 25667954 | 10.1021/jm5017279 | Cynomolgus monkey | 5 |
| 25667954 | 10.1021/jm5017279 | ADMET | 4 |
| 25667954 | 10.1021/jm5017279 | Lung | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 25667954 | 10.1021/jm5017279 | Respiratory syncytial virus | 1 |
| 25667954 | 10.1021/jm5017279 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine