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

General Information of Drug (ID: DR2394)
Drug Name
SC-47085
Synonyms
Olsalazine; Azodisal; Dipentium; Mirtazanine; Olsalazina; Olsalazina [Spanish]; Olsalazine (INN); Olsalazine [INN:BAN]; Olsalazinum; Olsalazinum [Latin]; Salicylic acid, 5,5'-azodi-; ULS5I8J03O; mordant yellow 5; (E)-5,5'-(diazene-1,2-diyl)bis(2-hydroxybenzoic acid); 15722-48-2; 3,3'-Azobis(6-hydroxybenzoic acid); 3,3'-diazene-1,2-diylbis(6-hydroxybenzoic acid); 5,5'-Azobis(salicylic acid); 5,5'-azodisalicylic acid; Benzoic acid, 3,3'-azobis(6-hydroxy-; C.I. Mordant Yellow 5; C14H10N2O6; CHEBI:7770; Rasal; UNII-ULS5I8J03O
Indication Ankylosing spondylitis [ICD11: FA92] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 302.24 Topological Polar Surface Area 140
Heavy Atom Count 22 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
22419
ChEBI ID
CHEBI:7770
CAS Number
15722-48-2
Formula
C14H10N2O6
Canonical SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)
InChIKey
QQBDLJCYGRGAKP-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Mesalazine DM000380
4075
Reduction - Reduction of azobenzene 1 Gut microbial environment
SC-47085 M1 PDM007482 N. A. Conjugation - Glycine conjugation 1 Human
SC-47085 M2 PDM007483 N. A. Conjugation - Aromatic OH-glucuronidation 1 Human
SC-47085 M3 PDM007484 N. A. Conjugation - O-Glucuronidation of aromatic acid 1 Human
SC-47085 M4 PDM007485 N. A. Conjugation - Carnitine conjugation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Azoreductase (azoR) DME1096 Escherichia coli
AZOR_ECOLI
1.7.1.6
[2]
References
1 ClinicalTrials.gov (NCT00004288) Phase II Pilot Study of Olsalazine for Ankylosing Spondylitis
2 Olsalazine. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in inflammatory bowel disease. Drugs. 1991 Apr;41(4):647-64.

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