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Compound Detail

CHEMBL515564

TENOFOVIR EXALIDEX
🧪 Phase II
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🧪 Phase II
CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515564
Name TENOFOVIR EXALIDEX
Phase Phase II
Structure Type MOL
InChI Key SCTJKHUUZLXJIP-RUZDIDTESA-N

Known Names

CMX-157 Cmx157 Hdp-tenofovir Hexadecyloxypropyl tenofovir Tenofovir exalidex
4
Targets
98
Activities
2
Assay Types
26
PK Parameters
19
Publications
5
Known Names
2
Indications
2
Mechanisms

Molecular Properties

569.7
MW (Da)
6.86
ALogP
9
HBA
2
HBD
134.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -vir

Extended Properties

Molecular Formula C28H52N5O5P
MW 569.73
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.04

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 ✓ ✓
Reverse transcriptase inhibitor INHIBITOR Reverse transcriptase ✓ ✓

Indications

Communicable Diseases Kidney Diseases

Activity Summary

EC50 92 meas. best 9.18
IC50 6 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 9.18 8.4887 0.7 87
Gag-Pol polyprotein
CHEMBL3638360
 IC50 8.74 8.29 1.8 6
Human immunodeficiency virus 2
CHEMBL380
 EC50 8.46 8.46 3.5 3
Hepatitis B virus
CHEMBL613497
 EC50 6.31 6.055 490.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 441.7 ng.hr.mL-1 Rattus norvegicus
AUC 435.2 ng.hr.mL-1 Rattus norvegicus
AUC 1832.8 ng.hr.mL-1 Rattus norvegicus
AUC 1543.9 ng.hr.mL-1 Rattus norvegicus
AUC 5408.0 ng.hr.mL-1 Rattus norvegicus
AUC 8406.3 ng.hr.mL-1 Rattus norvegicus
AUC - - Rattus norvegicus
AUC - - Rattus norvegicus
AUC - - Rattus norvegicus
AUC - - Rattus norvegicus
AUC 5429.8 ng.hr.mL-1 Rattus norvegicus
AUC 8050.6 ng.hr.mL-1 Rattus norvegicus
Cmax 148.93 nM Rattus norvegicus
Cmax 194.65 nM Rattus norvegicus
Cmax 665.23 nM Rattus norvegicus
Cmax 355.43 nM Rattus norvegicus
Cmax 1588.47 nM Rattus norvegicus
Cmax 1203.2 nM Rattus norvegicus
T1/2 2.5 hr Rattus norvegicus
T1/2 1.6 hr Rattus norvegicus
Tmax 0.5 hr Rattus norvegicus
Tmax 0.5 hr Rattus norvegicus
Tmax 2.0 hr Rattus norvegicus
Tmax 1.0 hr Rattus norvegicus
Tmax 2.0 hr Rattus norvegicus
Tmax 2.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 0.66 nM 9.18 Antiviral activity against HIV1 isolate 157 harboring reverse transcriptase L74V... 20439609
Human immunodeficiency virus 1 EC50 = 1.1 nM 8.96 Antiviral activity against HIV1 isolate JR-CSF infected in human PBMC after 48 t... 20439609
Human immunodeficiency virus 1 EC50 = 1.2 nM 8.92 Antiviral activity against HIV1 isolate 153 harboring reverse transcriptase L74V... 20439609
Human immunodeficiency virus 1 EC50 = 1.2 nM 8.92 Selectivity ratio of EC50 for HIV1 8415-2 harboring reverse transcriptase 65R/18... 20439609
Human immunodeficiency virus 1 EC50 = 1.2 nM 8.92 Antiviral activity against HIV1 isolate 174 harboring reverse transcriptase M184... 20439609
Human immunodeficiency virus 1 EC50 = 1.3 nM 8.89 Antiviral activity against HIV1 subtype A isolate 92UG029 infected in human MDM ... 20439609
Human immunodeficiency virus 1 EC50 = 1.3 nM 8.89 Antiviral activity against HIV1 subtype A isolate 92UG037 infected in human MDM ... 20439609
Human immunodeficiency virus 1 EC50 = 1.3 nM 8.89 Antiviral activity against HIV1 isolate 220 harboring reverse transcriptase K70E... 20439609
Human immunodeficiency virus 1 EC50 = 1.4 nM 8.85 Antiviral activity against HIV1 isolate 066 harboring reverse transcriptase 184V... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 isolate 166 harboring reverse transcriptase L74V... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 subtype B isolate 96USHIPS7 infected in human PB... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 subtype B isolate 92BR014 infected in human PBMC... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 subtype B isolate Ba-L infected in human PBMC af... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 isolate JR-CSF infected in human PBMC after 48 t... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 subtype B isolate ADA infected in human PBMC aft... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 subtype B isolate 92TH026 infected in human PBMC... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 isolate 217 harboring reverse transcriptase D67N... 20439609
Human immunodeficiency virus 1 EC50 = 1.5 nM 8.82 Antiviral activity against HIV1 NL 4-3 expressing wild type reverse transcriptas... 20439609
Human immunodeficiency virus 1 EC50 = 1.6 nM 8.8 Antiviral activity against HIV1 isolate 057 expressing wild type reverse transcr... 20439609
Human immunodeficiency virus 1 EC50 = 1.7 nM 8.77 Antiviral activity against HIV1 isolate 188 harboring reverse transcriptase T215... 20439609

Literature References

PubMed DOI Target Context # Activities
20439609 10.1128/aac.00068-10 Human immunodeficiency virus 1 115
17646420 10.1128/aac.00460-07 Rattus norvegicus 42
20439609 10.1128/aac.00068-10 PBMC 26
20439609 10.1128/aac.00068-10 ADMET 6
17646420 10.1128/aac.00460-07 Unchecked 4
20439609 10.1128/aac.00068-10 Human immunodeficiency virus 2 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
17646420 10.1128/aac.00460-07 Hepatitis B virus 2
17646420 10.1128/aac.00460-07 Human immunodeficiency virus 1 2
17646420 10.1128/aac.00460-07 PBMC 1
17646420 10.1128/aac.00460-07 MT2 1
17646420 10.1128/aac.00460-07 HepG2 1
20439609 10.1128/aac.00068-10 HeLa 1
20439609 10.1128/aac.00068-10 CEM-SS 1
20439609 10.1128/aac.00068-10 HepG2 1
27405794 10.1021/acs.jmedchem.6b00428 Human immunodeficiency virus 1 1
27405794 10.1021/acs.jmedchem.6b00428 PBMC 1
27405794 10.1021/acs.jmedchem.6b00428 ADMET 1
17646420 10.1128/aac.00460-07 ADMET 1

Data from ChEMBL 36 via Core Engine