Compound Detail
CHEMBL501916
LODENOSINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL501916 |
| Name | LODENOSINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KBEMFSMODRNJHE-JFWOZONXSA-N |
3
Targets
7
Activities
2
Assay Types
14
PK Parameters
20
Publications
4
Known Names
Molecular Properties
253.2
MW (Da)
0.03
ALogP
7
HBA
2
HBD
99.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 6 meas. best 5.94
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.94 | 5.7467 | 1160.0 | 3 |
| ADMET CHEMBL612558 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| CCRF-CEM CHEMBL382 | EC50 | 4.43 | 4.415 | 36700.0 | 2 |
| ADMET CHEMBL612558 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3.0 | - | Mus musculus |
| AUC | 3.9 | - | Mus musculus |
| AUC | 0.8 | - | Mus musculus |
| AUC | - | - | Mus musculus |
| AUC | 8.6 | - | Mus musculus |
| AUC | 4.8 | - | Mus musculus |
| AUC | 1.0 | - | Mus musculus |
| AUC | - | - | Mus musculus |
| T1/2 | 2.92 | - | Mus musculus |
| T1/2 | 0.91 | - | Mus musculus |
| T1/2 | 1.74 | - | Mus musculus |
| T1/2 | - | - | Mus musculus |
| T1/2 | - | hr | - |
| T1/2 | 0.01667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1160.0 | nM | 5.94 | Antiviral activity against HIV1 3B in human H9 cells assessed as inhibition of v... | 11430019 |
| Human immunodeficiency virus 1 | EC50 | = | 1160.0 | nM | 5.94 | Antiviral activity against HIV1 RF in human H9 cells assessed as inhibition of v... | 11430019 |
| ADMET | IC50 | = | 3300.0 | nM | 5.48 | Anti-HIV activity by using phytohemagglutininin-stimulated peripheral blood mono... | 8648601 |
| Human immunodeficiency virus 1 | EC50 | = | 4400.0 | nM | 5.36 | Antiviral activity against HIV1 infected in human PBM cells assessed as inhibiti... | 26200936 |
| CCRF-CEM | EC50 | = | 36700.0 | nM | 4.43 | Antiviral activity evaluated as the ability to inhibit the replication of HIV-1 ... | 10229630 |
| CCRF-CEM | EC50 | = | 40000.0 | nM | 4.4 | Antiviral activity evaluated as the ability to inhibit the replication of HIV-2 ... | 10229630 |
| ADMET | EC50 | = | 100000.0 | nM | 4.0 | In vitro anti-HIV activity was evaluated in human peripheral blood mononuclear (... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2106581 | 10.1021/jm00165a015 | H9 | 18 |
| 8917656 | 10.1021/jm960140c | Mus musculus | 16 |
| 2033591 | 10.1021/jm00109a018 | ADMET | 15 |
| 10229630 | 10.1021/jm981097r | CCRF-CEM | 3 |
| 11430019 | 10.1021/np0003995 | ADMET | 2 |
| 11430019 | 10.1021/np0003995 | Human immunodeficiency virus 1 | 2 |
| - | 10.1016/0960-894X(95)00133-E | ADMET | 2 |
| - | 10.1016/0960-894X(95)00133-E | Homo sapiens | 2 |
| 3499515 | 10.1021/jm00394a034 | MT4 | 2 |
| 10229630 | 10.1021/jm981097r | C3H/3T3 | 2 |
| 2033591 | 10.1021/jm00109a018 | No relevant target | 1 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | No relevant target | 1 |
| 8648601 | 10.1021/jm9509197 | ADMET | 1 |
| 10229630 | 10.1021/jm981097r | Unchecked | 1 |
| 10229630 | 10.1021/jm981097r | No relevant target | 1 |
| 10229630 | 10.1021/jm981097r | ADMET | 1 |
| 3499515 | 10.1021/jm00394a034 | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00133-E | Vero | 1 |
| - | 10.1016/0960-894X(95)00133-E | CCRF-CEM | 1 |
| 7520081 | 10.1021/jm00042a005 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine