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

General Information of Drug (ID: DR4945)
Drug Name
sparsentan
Synonyms
Sparsentan; RE-021; 254740-64-2; UNII-9242RO5URM; PS433540; PS-433540; CHEMBL539423; 9242RO5URM; BMS-346567; retrophin; Sparsentan [USAN]; compound 7 [PMID 15634011]; PS 33540; Sparsentan (RE-021); Sparsentan(PS433540); SCHEMBL535109; GTPL8448; BCP23969; BDBM50175523; SB16876; DB12548; CS-7947; DARA-a (Dual Acting Receptor Antagonist of angiotension and endothelin receptors); HY-17621; L023324; 4'-((2-butyl-4-oxo-1,3-diazaspiro[44]non-1-en-3-yl)methyl)-N-(4,5-dimethylisoxazol-3-yl)-2'-(ethoxymethyl)-[1,1'-biphenyl]-2-sulfonamide; RE-021
Indication Focal segmental glomerulosclerosis [ICD11: MF8Y] Phase 3 [1]
Hypertension [ICD11: ICD11: BA00-BA04] Phase 2 [2]
Myocardial infarction [ICD11: ICD11: BA41-BA43] Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 592.8 Topological Polar Surface Area 123
Heavy Atom Count 42 Rotatable Bond Count 12
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
10257882
CAS Number
254740-64-2
TTD Drug ID
D0YS1U
Formula
C32H40N4O5S
Canonical SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC
InChI
InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)
InChIKey
WRFHGDPIDHPWIQ-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
sparsentan M1 PDM010274 N. A. Conjugation - N-Glucuronidation of sulfonamide 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [4]
References
1 ClinicalTrials.gov (NCT03493685) Study of Sparsentan in Patients With Primary Focal Segmental Glomerulosclerosis (FSGS) (DUPLEX). U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT00635232) A Study To Evaluate The Dose-Related Efficacy and Safety of PS433540 in Subjects With Hypertension. U.S. National Institutes of Health.
3 Dual angiotensin II and endothelin A receptor antagonists: synthesis of 2'-substituted N-3-isoxazolyl biphenylsulfonamides with improved potency and pharmacokinetics. J Med Chem. 2005 Jan 13;48(1):171-9.
4 Effect of Multiple Doses of Sparsentan on the Single-Dose Pharmacokinetics of Dapagliflozin: An Open-Label Drug-Drug Interaction Study in Healthy Adults

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