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

General Information of Drug (ID: DR1537)
Drug Name
Tecovirimat
Synonyms
Tecovirimat; Tecovirimat [USAN:INN]; SIGA 246; SIGA-246; ST 246; ST-246; 816458-31-8; 869572-92-9; Benzamide, N-[(3aR,4R,4aR,5aS,6S,6aS)-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop[f]isoindol-2(1H)-yl]-4-(trifluoromethyl)-, rel-; F925RR824R; N-((3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa(f)isoindol-2(1H)-yl)-4-(trifluoromethyl)benzamide; TPOXX; UNII-F925RR824R
Indication Smallpox [ICD11: 1E70] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 376.3 Topological Polar Surface Area 66.5
Heavy Atom Count 27 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
16124688
CAS Number
869572-92-9
TTD Drug ID
D08FOR
Formula
C19H15F3N2O3
Canonical SMILES
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
InChI
1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+
InChIKey
CSKDFZIMJXRJGH-VWLPUNTISA-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
Tecovirimat metabolite M4 (N-{3,5-dioxo-4-azatetracyclo[5.3.2.0{2,6}.0{8,10}]dodec-11-en-4-yl}amine) DM000463 N. A. Unclear 1 [5]
Tecovirimat metabolite M5 (3,5-dioxo-4-aminotetracyclo[5.3.2.0{2,6}.0{8,10}]dodec-11-ene) DM000464 N. A. Unclear 1 [5]
TFMBA (4 (trifluoromethyl) benzoic acid) DM000465 N. A. Unclear 1 [5]
Unclear DM009999 N. A. Hydrolysis - Hydrolysis 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002351 Tecovirimat Tecovirimat metabolite M4 (N-{3,5-dioxo-4-azatetracyclo[5.3.2.0{2,6}.0{8,10}]dodec-11-en-4-yl}amine) Unclear Unclear [5]
MR002352 Tecovirimat Tecovirimat metabolite M5 (3,5-dioxo-4-aminotetracyclo[5.3.2.0{2,6}.0{8,10}]dodec-11-ene) Unclear Unclear [5]
MR002353 Tecovirimat TFMBA (4 (trifluoromethyl) benzoic acid) Unclear Unclear [5]
MR002354 Tecovirimat . Hydrolysis - Hydrolysis UGT1A1 ... [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Homo sapiens
UD14_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Homo sapiens
UD14_HUMAN
2.4.1.17
[4]
References
1 Tecovirimat was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Tecovirimat. The 2020 official website of the U.S. Food and Drug Administration.
3 LABEL:POXX- tecovirimat monohydrate injection, solution, concentrate TPOXX- tecovirimat monohydrate capsule
4 DrugBank(Pharmacology-Metabolism):Tecovirimat
5 Summary of Product Characteristics:Tecovirimat (tecovirimat) oral capsules

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