Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3288)
Drug Name
AT-527
Prodrug Info AT-527 is the prodrug of AT-9010
Synonyms
AT527; SCHEMBL18061556; GTPL11295; 2241337-84-6; propan-2-yl (2S)-2-[[[(3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Indication Coronavirus Disease 2019 (COVID-19) [ICD11: 1D6Y] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 581.5 Topological Polar Surface Area 185
Heavy Atom Count 40 Rotatable Bond Count 12
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
122527270
TTD Drug ID
D5AV3Q
Formula
C24H33FN7O7P
Canonical SMILES
C[C@@H](C(=O)OC(C)C)N[P@](=O)(OCC1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4
InChI
InChI=1S/C24H33FN7O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32/h6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30)/t14-,16?,18+,22+,24+,40-/m0/s1
InChIKey
OISLSHLAXHALQZ-ZXWZJMKMSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
AT-9010 DM016660
136141536
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011739 AT-527 AT-9010 Unclear - Unclear CES1 [2]
References
1 ClinicalTrials.gov (NCT04709835) Study to Evaluate the Effects of AT-527 in Non-Hospitalized Adult Patients With Mild or Moderate COVID-19. U.S. National Institutes of Health.
2 Study the pharmacokinetics of AV-45 in rat plasma and metabolism in liver microsomes by ultra-performance liquid chromatography with mass spectrometry

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