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

General Information of Drug (ID: DR1756)
Drug Name
Edaravone
Synonyms
Methylphenylpyrazolone; Norantipyrine; Norphenazone; Phenyl methyl pyrazolone; Phenylmethylpyrazolone; Radicava; Radicut; Developer Z; MCI-186; edaravone; 1-Phenyl-3-methyl-5-oxo-2-pyrazoline; 1-Phenyl-3-methyl-5-pyrazolone; 1-Phenyl-3-methylpyrazolone; 1-Phenyl-3-methylpyrazolone-5; 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one; 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE; 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one; 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-; 89-25-8; C.I. Developer 1; CI Developer 1
Indication Cerebral stroke [ICD11: 8B11] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 174.2 Topological Polar Surface Area 32.7
Heavy Atom Count 13 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
4021
PubChem SID
66965 ; 69252 ; 87060 ; 583397 ; 855774 ; 3133945 ; 5663208 ; 7848615 ; 8150018 ; 8152519 ; 10537545 ; 11113339 ; 11120318 ; 11120806 ; 11121294 ; 11121793 ; 11122273 ; 11336193 ; 11337201 ; 11361432 ; 11362989 ; 11363161 ; 11365551 ; 11365723 ; 11368113 ; 11368285 ; 11371129 ; 11371130 ; 11371920 ; 11373714 ; 11374640 ; 11376275 ; 11376447 ; 11384009 ; 11462404 ; 11485244 ; 11489390 ; 11490786 ; 11492905 ; 11494081 ; 11512560 ; 12014003 ; 15219562 ; 16959864 ; 17389763 ; 22389521 ; 24885706 ; 24897140 ; 25622932 ; 26612506
ChEBI ID
ChEBI:31530
CAS Number
89-25-8
TTD Drug ID
D06DLI
Formula
C10H10N2O
Canonical SMILES
CC1=NN(C(=O)C1)C2=CC=CC=C2
InChI
1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
QELUYTUMUWHWMC-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
Edaravone glucuronide conjugates DM000558
20056717
Conjugation - Glucuronidation 1 [3]
Edaravone sulfate conjugates DM000559
22473
Conjugation - Sulfation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000896 Edaravone Edaravone glucuronide conjugates Conjugation - Glucuronidation UGT1A1 ... [3]
MR000897 Edaravone Edaravone sulfate conjugates Conjugation - Sulfation Unclear [4]
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 1A10 (UGT1A10) DME0075 Homo sapiens
UD110_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 2B17 (UGT2B17) DME0066 Homo sapiens
UDB17_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[3]
⏷ Show the Full List of 8  DME(s)
References
1 Edaravone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 A novel administration route for edaravone: I. Effects of metabolic inhibitors on skin permeability of edaravone. Int J Pharm. 2009 May 8;372(1-2):33-8.
3 LABEL:ADICAVA- edaravone injection RADICAVA ORS- edaravone kit
4 U. S. FDA Label -Edaravone

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