Compound Detail
CHEMBL2364637
TENOFOVIR ALAFENAMIDE FUMARATE 💊 Approved Drug
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💊 Approved Drug
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2364637 |
| Name | TENOFOVIR ALAFENAMIDE FUMARATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SVUJNSGGPUCLQZ-FQQAACOVSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL2107825 |
| Active Moiety | CHEMBL258501 |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
8
Publications
9
Known Names
6
Indications
1
Mechanisms
Molecular Properties
476.5
MW (Da)
2.97
ALogP
10
HBA
2
HBD
143.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| 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
Hepatitis B Hepatitis B, Chronic Hepatitis B, Chronic HIV Infections HIV Infections Acquired Immunodeficiency Syndrome
Drug Warnings
Black Box Warning
hepatotoxicity
Activity Summary
EC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.3 | 8.245 | 5.0 | 2 |
| Hepatitis B virus CHEMBL613497 | EC50 | 8.28 | 8.28 | 5.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.45 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5.0 | nM | 8.3 | Antiviral activity against HIV-1 | 34713696 |
| Hepatitis B virus | EC50 | = | 5.3 | nM | 8.28 | Antiviral activity against HBV infected in human HepG2-hNTCP cells assessed as r... | 34713696 |
| Human immunodeficiency virus 1 | EC50 | = | 6.4 | nM | 8.19 | Antiviral activity against HIV-1 infected in MT4 cells assessed as reduction in ... | 34713696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34713696 | 10.1021/acs.jmedchem.1c01444 | ADMET | 6 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | Human immunodeficiency virus 1 | 2 |
| 38086193 | 10.1016/j.ejmech.2023.116020 | ADMET | 2 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | MT4 | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | No relevant target | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | Lysosomal protective protein | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | Hepatitis B virus | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine