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

General Information of Drug (ID: DR5076)
Drug Name	Ethambutol
Synonyms	Aethambutolum; Diambutol; EMB; Etambutol; Etambutolo; Ethambutolum; Etibi; Miambutol; Myambutol; Purderal; Servambutol; Tibutol; Etambutolo [DCIT]; CL 40881 (dihydrochloride); D-Ethambutol; Etambutol [INN-Spanish]; Ethambutol & EEP; Ethambutol & Propolis; Ethambutol (INN); Ethambutol [INN:BAN]; Ethambutol, meso form; Ethambutol, racemic mixture; Ethambutolum [INN-Latin]; Myambutol (TN); Myambutol (dihydrochloride); Servambutol (TN); Ethambutol, (-)-isomer; D,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine; D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine; D-2,2'-(Ethylenediimino)bis(1-butanol); D-2,2'-(Ethylenediimino)di-1-butanol; (+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol; (+)-2,2'-(Ethylenediimino)di-1-butanol; (+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine; (+)-S,S-Ethambutol; (+)-ethambutol; (-)-(R,R)-2,2'-(1,2-Ethylenediimino)-di-1-butanol; (2'S)-2,2'-[Ethane-1,2-diyldi(imino)]dibutan-1-ol; (2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol; (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; (2S)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol; (2S)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol; (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol; (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol; (R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol; (S,R)-2,2'-(1,2-Ethylenediimino)-di-1-butanol; (S,S)-ethambutol; 2,2'-(1,2-Ethylenediimino)-di-1-butanol; 2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol; 2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol
Indication	Pulmonary tuberculosis [ICD11: 1B10-1B12]			Approved	[1]
Structure
Structure	3D MOL		2D MOL
Pharmaceutical Properties	Molecular Weight	204.31	Topological Polar Surface Area		64.5
	Heavy Atom Count	14	Rotatable Bond Count		9
	Hydrogen Bond Donor Count	4	Hydrogen Bond Acceptor Count		4
Cross-matching ID	PubChem CID 14052 ChEBI ID CHEBI:4877 CAS Number 74-55-5 TTD Drug ID D08QME Formula C10H24N2O2 Canonical SMILES CC[C@@H](CO)NCCN[C@@H](CC)CO InChI InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 InChIKey AEUTYOVWOVBAKS-UWVGGRQHSA-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
Ethambutol Aldehyde	DM017051	N. A.	Oxidation - Alcohol dehydrogenation	1	[2] , [3]
2,2'-(Ethylenediimino)di-butryic acid	DM017052	N. A.	Oxidation - Aldehyde dehydrogenation	2	[2] , [3]
2-Aminobutyric acid	DM014902	6657	Oxidation - N-dealkylation	3	[3]

The Full List of Metabolic Reaction (MR) of This Drug

MR ID	Reactant	Product	MR Type	DME	REF
MR008032	Ethambutol	Ethambutol Aldehyde	Oxidation - Alcohol dehydrogenation	ADH	[2], [3]
MR008033	Methylergometrine	2,2'-(Ethylenediimino)di-butryic acid	Oxidation - Aldehyde dehydrogenation	ADH	[2], [3]
MR008034	2,2'-(Ethylenediimino)di-butryic acid	2-Aminobutyric acid	Oxidation - N-dealkylation	Unclear	[3]

Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug

DME Name	DME Info	Species	Uniprot ID	EC Number	REF
S-(hydroxymethyl)glutathione dehydrogenase (adh)	DME1249	Vibrio cholerae	A0A0A7DS01_VIBCL	1.1.1.284	[2]

References
1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	COMPARATIVE METABOLISM OF ETHAMBUTOL AND ITS L-ISOMER
3	Global Urine Metabolomics in Patients Treated with First-Line Tuberculosis Drugs and Identification of a Novel Metabolite of Ethambutol

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