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

General Information of Drug (ID: DR2303)
Drug Name
BRN-0889798
Synonyms
Niflan; Pranoprofen [INN:JAN]; Pranoprofene [INN-French]; Pranoprofeno [INN-Spanish]; Pranoprofenum [INN-Latin]; Y-8004; pranoprofen; pyranoprofen; 2-(5H-(1)Benzopyrano(2,3-b)pyridin-7-yl)propionic acid; 2-(5H-(1)Benzopyrano(2,3-b)pyridin-7yl)propionic acid; 2-(5H-[1]Benzopyrano[2,3-b]pyridin-7-yl)propionic acid; 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid; 52549-17-4; AK343797; BRN 0889798; CHEMBL367463; NCGC00167980-01; alpha-Methyl-5H-(1)-benzopyrano(2,3-b)pyridine-7-acetic acid
Indication Keratoconjunctivitis sicca [ICD11: 9A79] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 255.27 Topological Polar Surface Area 59.4
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
4888
ChEBI ID
CHEBI:32040
CAS Number
52549-17-4
Formula
C15H13NO3
Canonical SMILES
CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O
InChI
1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey
TVQZAMVBTVNYLA-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
BRN-0889798 M1 PDM007451 N. A. Conjugation - Glycine conjugation 1 Human
BRN-0889798 M2 PDM007452 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
BRN-0889798 M3 PDM007453 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
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1357 Alistipes indistinctus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1364 Bacteroides coprophilus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1366 Bacteroides eggerthii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1376 Bacteroides ovatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1377 Bacteroides pectinophilus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1378 Bacteroides uniformis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1379 Bacteroides stercoris Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1431 Holdemanella biformis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1445 Parabacteroides distasonis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1449 Prevotella copri Not Available Not Available [2]
⏷ Show the Full List of 20  DME(s)
References
1 Clinical efficacy of 0.1% pranoprofen in treatment of dry eye patients: a multicenter, randomized, controlled clinical trial. Chin Med J (Engl). 2014;127(13):2407-12.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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