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

General Information of Drug (ID: DR2633)
Drug Name
Azatadine maleate
Synonyms
Azatadine (dimaleate); Azatadine dimaleate; Azatadine maleate; Idulian; Sch 10649; Zadine; 3978-86-7; 5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, (Z)-2-butenedioate (1:2); 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine maleate (1:2); 6,11-Dihydro-11-(1-methyl-4-piperidylidene)5H-benzo(5,6)cyclohepta(1,2-b)pyridine dimaleate; C20H22N2.2C4H4O4; CHEBI:2947; EINECS 223-615-8; F3Q391WTX7; UNII-F3Q391WTX7
Indication Allergic rhinitis [ICD11: CA08] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 522.5 Topological Polar Surface Area 165
Heavy Atom Count 38 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
5281066
ChEBI ID
CHEBI:2947
CAS Number
3978-86-7
Formula
C28H30N2O8
Canonical SMILES
CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
InChI
1S/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey
SGHXFFAHXTZRQM-SPIKMXEPSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1366 Bacteroides eggerthii Not Available Not Available [2]
References
1 Azatadine maleate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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