Compound Detail
CHEMBL109831
DEXELVUCITABINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL109831 |
| Name | DEXELVUCITABINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HSBKFSPNDWWPSL-CAHLUQPWSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications
1
Mechanisms
Molecular Properties
227.2
MW (Da)
-0.59
ALogP
6
HBA
2
HBD
90.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase inhibitor | INHIBITOR | Human immunodeficiency virus type 1 reverse transcriptase | ✓ | ✓ |
Indications
HIV Infections
Activity Summary
EC50 3 meas. best 7.34
IC50 3 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.34 | 7.23 | 46.0 | 2 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| MT2 CHEMBL614184 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 46.0 | nM | 7.34 | Tested in vitro for anti HIV-1 activity against PBM cells | 10072683 |
| Human immunodeficiency virus 1 | EC50 | = | 75.0 | nM | 7.12 | Antiviral activity against HIV1 LAI in human PBM cells | 17403996 |
| Human immunodeficiency virus | EC50 | = | 200.0 | nM | 6.7 | In vitro inhibitory activity against proliferation of HIV viral cell | 9873711 |
| MT2 | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibitory activity against growth of HIV infected MT-2/IIIB cell line | 9873711 |
| CCRF-CEM | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibitory activity against growth of HIV infected CEM cell line | 9873711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17403996 | 10.1128/aac.01543-06 | CCRF-CEM | 5 |
| 17403996 | 10.1128/aac.01543-06 | Human immunodeficiency virus 1 | 2 |
| 10072683 | 10.1021/jm980510s | Human immunodeficiency virus 1 | 2 |
| 9873711 | 10.1016/s0960-894x(98)00599-x | CCRF-CEM | 2 |
| 10072683 | 10.1021/jm980510s | SK-MES-1 | 1 |
| 9873711 | 10.1016/s0960-894x(98)00599-x | DLD-1 | 1 |
| 9873711 | 10.1016/s0960-894x(98)00599-x | MT2 | 1 |
| 9873711 | 10.1016/s0960-894x(98)00599-x | Human immunodeficiency virus | 1 |
| 9873711 | 10.1016/s0960-894x(98)00599-x | Hepatitis B virus | 1 |
| 10072683 | 10.1021/jm980510s | 9L | 1 |
| 10072683 | 10.1021/jm980510s | LNCaP | 1 |
| 10072683 | 10.1021/jm980510s | MCF7 | 1 |
| - | 10.1016/0960-894X(95)00472-6 | HeLa | 1 |
| 10072683 | 10.1021/jm980510s | SK-MEL-28 | 1 |
| 10072683 | 10.1021/jm980510s | PC-3 | 1 |
| 10072683 | 10.1021/jm980510s | HepG2 | 1 |
| 10072683 | 10.1021/jm980510s | CCRF-CEM | 1 |
| 10072683 | 10.1021/jm980510s | Vero | 1 |
| 10072683 | 10.1021/jm980510s | ADMET | 1 |
| - | 10.1016/0960-894X(95)00472-6 | Vero | 1 |
Data from ChEMBL 36 via Core Engine