Details of the Drug

General Information of Drug (ID: DMUD0IN)

Drug Name
FOZIVUDINE TIDOXIL
Synonyms HDP-990002; BM-21.1290; Fozivudine tidoxil; 3'-Azido-3'-deoxy-5'-O-[2-decyloxy-3-(dodecylthio)propoxy-hydroxyphosphoryl]thymidine
Indication
Disease Entry ICD 11 Status REF
Human immunodeficiency virus infection 1C62 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 746
Logarithm of the Partition Coefficient (xlogp) 10.1
Rotatable Bond Count (rotbonds) 31
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C35H64N5O8PS
IUPAC Name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-decoxy-3-dodecylsulfanylpropyl) hydrogen phosphate
Canonical SMILES
CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCCCCCCCCCC
InChI
InChI=1S/C35H64N5O8PS/c1-4-6-8-10-12-14-15-17-19-21-23-50-28-30(45-22-20-18-16-13-11-9-7-5-2)26-46-49(43,44)47-27-32-31(38-39-36)24-33(48-32)40-25-29(3)34(41)37-35(40)42/h25,30-33H,4-24,26-28H2,1-3H3,(H,43,44)(H,37,41,42)/t30?,31-,32+,33+/m0/s1
InChIKey
IBHARWXWOCPXCR-WELGVCPWSA-N
Cross-matching ID
PubChem CID
64140
CAS Number
141790-23-0
UNII
687805287F
DrugBank ID
DB12423
TTD ID
D0A0MU
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 Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007452)
2 Fozivudine tidoxil as single-agent therapy decreases plasma and cell-associated viremia during acute feline immunodeficiency virus infection. J Vet Intern Med. 2011 May-Jun;25(3):413-8.