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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL483
CHEMBL483
Compound Name TENOFOVIR
ChEMBL Synonyms TENOFOVIR | GS-1278 | PMPA | Tenofovir | Atripla | Truvada
Max Phase 3
Trade Names
Molecular Formula C9H14N5O4P

Additional synonyms for CHEMBL483 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](Cn1cnc2c(N)ncnc12)OCP(=O)(O)O
Standard InChI InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)1 ...
Download InChI
Standard InChI Key SGOIRFVFHAKUTI-ZCFIWIBFSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL483

Molecule Features

CHEMBL483 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TENOFOVIR
The Cochrane Collaboration TENOFOVIR

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL483. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 1.000
CHEMBL1075323 Endoplasmin Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.999
CHEMBL3234 Tyrosine-protein kinase HCK Homo sapiens 0.999
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.999
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.997
CHEMBL1910 Adenosine deaminase Homo sapiens 0.995
CHEMBL6069 Pantothenate synthetase Mycobacterium tuberculosis 0.988
CHEMBL3130 PI3-kinase p110-delta subunit Homo sapiens 0.954
CHEMBL3267 PI3-kinase p110-gamma subunit Homo sapiens 0.925
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 0.923
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.764



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 1.000
CHEMBL4391 Fructose-1,6-bisphosphatase Rattus norvegicus 1.000
CHEMBL1075323 Endoplasmin Homo sapiens 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.999
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 0.999
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.998
CHEMBL3234 Tyrosine-protein kinase HCK Homo sapiens 0.997
CHEMBL2605 Adenosine A2a receptor Cavia porcellus 0.996
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.993
CHEMBL1910 Adenosine deaminase Homo sapiens 0.993
CHEMBL3267 PI3-kinase p110-gamma subunit Homo sapiens 0.992
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 0.989
CHEMBL3130 PI3-kinase p110-delta subunit Homo sapiens 0.985

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
287.2 287.0783 -0.05 5 136.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.61 4.22 -.14 -4.06 2 19 0.65

Structural Alerts

There are 4 structural alerts for CHEMBL483. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Wikipedia Tenofovir

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL483



ACToR 147127-20-6 206184-49-8
Brenda 172239 33023 153414 154399
ChEBI 63625
ChemicalBook CB8218508
DrugBank DB14126
DrugCentral 2592
eMolecules 6843955
EPA CompTox Dashboard DTXSID9040132
FDA SRS W4HFE001U5
Human Metabolome Database HMDB0014445
IBM Patent System 89812C6BB5A8276EE060DD6668B3591B
LINCS LSM-5340
Metabolights MTBLC63625
Nikkaji J540.142I
PDBe TFO
PharmGKB PA10204
PubChem 464205
PubChem: Drugs of the Future 12014981
PubChem: Thomson Pharma 14873257
Selleck Tenofovir
SureChEMBL SCHEMBL39724
ZINC ZINC000001543475

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SGOIRFVFHAKUTI-ZCFIWIBFSA-N spacer
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