General Information of Drug (ID: DMEB3T9)

Drug Name
Amdoxovir
Synonyms
Amdoxovir; DAPD; 145514-04-1; DAPD cpd; UNII-54I81H0M9C; (-)-DAPD; beta-D-2,6-Diaminopurine-dioxolane; 54I81H0M9C; [(2R,4R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol; (2R-cis)-4-(2,6-Diamino-9H-purin-9-yl)-1,3-dioxolane-2-methanol; (2R,4R)-4-(2,6-Diamino-9H-purin-9-yl)-1,3-dioxolane-2-methanol; (-)-(2R,4R)-2-Amino-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)adenine; 1,3-Dioxolane-2-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (2R,4R)-; 1,3-Dioxolane-2-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (2R-cis)-; Amdoxovir [USAN]
Indication
Disease Entry ICD 11 Status REF
Hepatitis B virus infection 1E51.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 252.23
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C9H12N6O3
IUPAC Name
[(2R,4R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
Canonical SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1
InChIKey
RLAHNGKRJJEIJL-RFZPGFLSSA-N
Cross-matching ID
PubChem CID
124088
CAS Number
145514-04-1
DrugBank ID
DB06619
TTD ID
D06ZWL

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01738555) A Safety and Efficacy Study of Amdoxovir in HIV-1 Treatment-experienced Subjects. U.S. National Institutes of Health.
2 Amdoxovir versus placebo with enfuvirtide plus optimized background therapy for HIV-1-infected subjects failing current therapy (AACTG A5118). Antivir Ther. 2006;11(5):619-23.