Details of the Drug

General Information of Drug (ID: DMSY4ZG)

Drug Name
Tenofovir disoproxil fumarate
Synonyms Bis-POC-PMPA; GSK548470; PMPA-oral; Tenofovir DF; Tenozet; Viread
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Approved [1]
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
3		 Molecular Weight 635.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 19
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 18
Chemical Identifiers
Formula
C23H34N5O14P
IUPAC Name
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
Canonical SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\\C(=O)O
InChI
InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1
InChIKey
VCMJCVGFSROFHV-WZGZYPNHSA-N
Cross-matching ID
PubChem CID
6398764
ChEBI ID
CHEMBL63718
CAS Number
202138-50-9
TTD ID
D0R3FP
INTEDE ID
DR1554
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human immunodeficiency virus Reverse transcriptase (HIV RT) TT84ETX POL_HV1B1 Modulator [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
3 FDA label of Bictegravir, emtricitabine, and tenofovir alafenamide. The 2020 official website of the U.S. Food and Drug Administration.