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

General Information of Drug (ID: DR2936)
Drug Name
AZD3355
Synonyms .
Indication Gastro-oesophageal reflux disease [ICD11: DA22] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 140.07 Topological Polar Surface Area 63.3
Heavy Atom Count 8 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
9833984
CAS Number
344413-67-8
TTD Drug ID
D03FFY
Formula
C3H8FNO2P+
Canonical SMILES
C([C@H](C[P+](=O)O)F)N
InChI
InChI=1S/C3H7FNO2P/c4-3(1-5)2-8(6)7/h3H,1-2,5H2/p+1/t3-/m1/s1
InChIKey
WVTGPBOMAQLPCP-GSVOUGTGSA-O
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
AZD3355 metabolite M1 DM017283 N. A. Unclear - Unclear 1 [2]
AZD3355 metabolite M2 DM015758
11412371
Unclear - Unclear 1 [2]
AZD3355 metabolite M3 DM017281 N. A. Unclear - Unclear 1 [2]
AZD3355 metabolite M4 DM017282 N. A. Unclear - Unclear 1 [2]
AZD3355 metabolite M5 DM015480
6347393
Unclear - Unclear 1 [2]
AZD3355 metabolite M6 DM016555
122184355
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008376 AZD3355 AZD3355 metabolite M3 Unclear - Unclear Unclear [2]
MR008377 AZD3355 AZD3355 metabolite M4 Unclear - Unclear Unclear [2]
MR008378 AZD3355 AZD3355 metabolite M6 Unclear - Unclear Unclear [2]
MR008379 AZD3355 AZD3355 metabolite M1 Unclear - Unclear Unclear [2]
MR008380 AZD3355 AZD3355 metabolite M5 Unclear - Unclear Unclear [2]
MR008381 AZD3355 AZD3355 metabolite M2 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 6 MR(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7705).
2 Identification of the metabolites of lesogaberan using linear trap quadrupole orbitrap mass spectrometry and hydrophilic interaction liquid chromatography

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