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

General Information of Drug (ID: DR2900)
Drug Name
E-6087
Synonyms E-6231 ((R)-(+)-isomer); E-6232 ((S)-(-)-isomer); Rac-4-[5-(2,4-Difluorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
Indication Pain [ICD11: MG30-MG3Z] Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 405.3 Topological Polar Surface Area 84.1
Heavy Atom Count 27 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
9953093
CAS Number
251442-94-1
TTD Drug ID
D07RUC
Formula
C16H12F5N3O2S
Canonical SMILES
C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H12F5N3O2S/c17-9-1-6-12(13(18)7-9)14-8-15(16(19,20)21)23-24(14)10-2-4-11(5-3-10)27(22,25)26/h1-7,14H,8H2,(H2,22,25,26)
InChIKey
ZZMJXWXXMAAPLI-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
E-6087 Metabolite M8 DM019041 N. A. Unclear - Unclear 1 [2]
Enflicoxib Glucuronide DM019046 N. A. Unclear - Unclear 1 [2]
E-6087 Metabolite M7 DM019042 N. A. Unclear - Unclear 2 [2]
E-6087 Metabolite M8 Glucuronide DM019045 N. A. Unclear - Unclear 2 [2]
E-6087 Metabolite M7 Glucuronide DM019044 N. A. Unclear - Unclear 3 [2]
E-6087 Metabolite M7 Sulfate DM019043 N. A. Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011449 E-6087 E-6087 Metabolite M8 Unclear - Unclear CYP [2]
MR011454 E-6087 Enflicoxib Glucuronide Unclear - Unclear UGT [2]
MR011450 E-6087 Metabolite M8 E-6087 Metabolite M7 Unclear - Unclear Unclear [2]
MR011453 E-6087 Metabolite M8 E-6087 Metabolite M8 Glucuronide Unclear - Unclear UGT [2]
MR011451 E-6087 Metabolite M7 E-6087 Metabolite M7 Sulfate Unclear - Unclear SULT [2]
MR011452 E-6087 Metabolite M7 E-6087 Metabolite M7 Glucuronide Unclear - Unclear UGT [2]
⏷ Show the Full List of 6 MR(s)
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800016130)
2 Comparative In vitro Metabolism of Enflicoxib in Dogs, Rats, and Humans: Main Metabolites and Proposed Metabolic Pathways

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.