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

General Information of Drug (ID: DR2030)
Drug Name
Ethylenediamine
Synonyms
Aethaldiamin; Aethaldiamin [German]; Aethylenediamin; Aethylenediamin [German]; Algicode 106L; Amerstat 274; Dimethylenediamine; Ethane-1,2-diamine; Ethyleendiamine; Ethyleendiamine [Dutch]; Ethylendiamine; Ethylene diamine; Ethylene-diamine; Ethylene-diamine [French]; Ethylenediamine [JAN]; beta-Aminoethylamine; edamine; ethylenediamine; 1,2-Diamino-ethaan; 1,2-Diamino-ethano; 1,2-Diaminoaethan; 1,2-Diaminoethane; 1,2-Ethanediamine; 1,2-Ethanediamine, homopolymer; 1,2-Ethylenediamine; 107-15-3; Caswell No. 437; NCI-C60402
Indication Pulmonary tuberculosis [ICD11: 1B10] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 60.1 Topological Polar Surface Area 52
Heavy Atom Count 4 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
3301
PubChem SID
587065 ; 624655 ; 3133207 ; 5242029 ; 7848177 ; 8146162 ; 8152101 ; 10503396 ; 11108729 ; 11528266 ; 14915904 ; 17389605 ; 24845499 ; 24849054 ; 24854432 ; 24864357 ; 24865689 ; 24894420 ; 24894428 ; 24894477 ; 35227497 ; 37336904 ; 37376168 ; 37649067 ; 39950111 ; 41431815 ; 48415073 ; 48417152 ; 48421521 ; 48423421 ; 48425139 ; 57321714 ; 57647290 ; 57648051 ; 75965786 ; 85085947 ; 85085948 ; 87244999 ; 87569388 ; 87569390 ; 88826368 ; 96022455 ; 103214369 ; 103816441 ; 104303110 ; 104667273 ; 117531664 ; 118980204 ; 123071362 ; 124891040
ChEBI ID
CHEBI:30347
CAS Number
85404-18-8
TTD Drug ID
D0WT6A
Formula
C2H8N2
Canonical SMILES
C(CN)N
InChI
1S/C2H8N2/c3-1-2-4/h1-4H2
InChIKey
PIICEJLVQHRZGT-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
N-acetylethylenediamine DM003880
66082
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004246 Ethylenediamine N-acetylethylenediamine Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Putrescine acetyltransferase (SSAT1) DME0216 Homo sapiens
SAT1_HUMAN
2.3.1.57
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Putrescine acetyltransferase (SSAT1) DME0216 Km = 0.196 microM
SAT1_HUMAN
[2]
References
1 Novel agents in the management of Mycobacterium tuberculosis disease. Curr Med Chem. 2007;14(18):2000-8.
2 Mechanistic and structural analysis of human spermidine/spermine N1-acetyltransferase. Biochemistry. 2007 Jun 19;46(24):7187-95.
3 Pharmacokinetics and metabolism of ethylenediamine in the swiss webster mouse following oral or intravenous dosing

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