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

General Information of Drug (ID: DR0149)
Drug Name
PTC-124
Synonyms
Ataluren; Ataluren (PTC124); Ataluren [USAN:INN]; K16AME9I3V; PTC 124; PTC-124; PTC124; PTC124 (Ataluren); PTC124,Ataluren; Translarna; Translarna (TN); 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid; 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid; 775304-57-9; AK-31904; Benzoic acid, 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)-; Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-; CAS-775304-57-9; DSSTox_CID_26776; DSSTox_GSID_46776; DSSTox_RID_81895; EC-000.2051; NCGC00168759-02; UNII-K16AME9I3V
Indication Cystic fibrosis [ICD11: CA25] Phase 3 []
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 284.24 Topological Polar Surface Area 76.2
Heavy Atom Count 21 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
11219835
PubChem SID
16302894 ; 23402844 ; 29203630 ; 42299455 ; 57304410 ; 57376289 ; 75766960 ; 85852879 ; 87334013 ; 96026003 ; 99373538 ; 99436942 ; 99460885 ; 103563347 ; 103910924 ; 109693655 ; 118049493 ; 123051056 ; 123121571 ; 124757874 ; 125164722 ; 125503240 ; 126582219 ; 126635177 ; 126666965 ; 126726702 ; 134964148 ; 135252715 ; 135727400 ; 136345855 ; 136367510 ; 136367810 ; 136376015 ; 136920369 ; 137053896 ; 138987465 ; 143497760 ; 144206184 ; 152213774 ; 152236440 ; 152258609 ; 152344272 ; 160647444 ; 160816445 ; 162037998 ; 162195922 ; 162912919 ; 163589943 ; 164825244 ; 170466862
ChEBI ID
CHEBI:94805
CAS Number
775304-57-9
TTD Drug ID
D09IRQ
Formula
C15H9FN2O3
Canonical SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F
InChI
1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChIKey
OOUGLTULBSNHNF-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
Ataluren-O-1beta-acyl glucuronide DM005953 N. A. Conjugation - Conjugation 1 [1] , [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006411 PTC-124 Ataluren-O-1beta-acyl glucuronide Conjugation - Conjugation UGT1A9 [1], [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[1]
References
1 Ataluren pharmacokinetics in healthy Japanese and Caucasian subjects. Clin Pharmacol Drug Dev. 2019 Feb;8(2):172-178.
2 LC-MS/MS quantification of ataluren and ataluren acyl glucuronide in human plasma/urine: application in clinical studies

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