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

General Information of Drug (ID: DR1491)
Drug Name
Sitaxentan
Synonyms
Sitaxentan; Sitaxentan (USAN/INN); Sitaxentan [USAN:INN]; Sitaxsentan; TBC 11251; TBC-11251; IPI 1040; J9QH779MEM; 184036-34-8; 210421-64-0; 3-Thiophenesulfonamide, N-(4-chloro-3-methyl-5-isoxazolyl)-2-((6-methyl-1,3-benzodioxol-5-yl)acetyl)-; AC1Q5G7P; CHEMBL282724; DSSTox_CID_31462; DSSTox_GSID_57673; DSSTox_RID_97348; N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide; UNII-J9QH779MEM
Indication Pulmonary hypertension [ICD11: BB01] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 454.9 Topological Polar Surface Area 144
Heavy Atom Count 29 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
216235
PubChem SID
9372810 ; 14882225 ; 30419980 ; 51091510 ; 53787795 ; 57399751 ; 74641055 ; 99443241 ; 103132160 ; 103185367 ; 103856556 ; 103954105 ; 113461188 ; 117565630 ; 126666642 ; 128918439 ; 134338702 ; 135135408 ; 137242544 ; 142451026 ; 152258916 ; 160647762 ; 160967856 ; 162011733 ; 163408557 ; 163848063 ; 170465720 ; 178100777 ; 179150102 ; 185971408 ; 198974562 ; 198991724 ; 223662441 ; 224211166 ; 227081706
ChEBI ID
CHEBI:135736
CAS Number
210421-64-0
TTD Drug ID
D0T1RG
Formula
C18H15ClN2O6S2
Canonical SMILES
CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2
InChI
1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
InChIKey
PHWXUGHIIBDVKD-UHFFFAOYSA-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
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005264 Sitaxentan Unclear Unclear CYP2C9 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
References
1 Emerging treatments for pulmonary arterial hypertension. Expert Opin Emerg Drugs. 2006 Nov;11(4):609-19.
2 Interaction of acenocoumarol and sitaxentan in pulmonary arterial hypertension. Eur J Clin Invest. 2009 Jun;39 Suppl 2:14-8.

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