Details of the Drug

General Information of Drug (ID: DMGH4Q0)

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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.24
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 8
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 0.9 hours [1]
Metabolism
The drug is metabolized via the colonic bacteria []
Chemical Identifiers
Formula
C14H10N2O6
IUPAC Name
5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid
Canonical SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
QQBDLJCYGRGAKP-UHFFFAOYSA-N
InChIKey
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)
Cross-matching ID
PubChem CID
22419
ChEBI ID
CHEBI:7770
CAS Number
15722-48-2
INTEDE ID
DR2394

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Azoreductase (azoR)
Main DME 		DEEHWOG AZOR_ECOLI Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Olsalazine. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in inflammatory bowel disease. Drugs. 1991 Apr;41(4):647-64.