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

General Information of Drug (ID: DR1542)
Drug Name
Teicoplanin
Synonyms Teicoplanin aglycon; Teicoplanin aglycone; Aglycon; Deglucoteicoplanin; 89139-42-4; ACN-036874; CHEBI:135904; CHEMBL2348244; amino-dichloro-heptahydroxy-hexaoxo-[?]carboxylic acid
Indication Staphylococcus infection [ICD11: 1B73] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 1198.9 Topological Polar Surface Area 407
Heavy Atom Count 85 Rotatable Bond Count 1
Hydrogen Bond Donor Count 15 Hydrogen Bond Acceptor Count 19
Cross-matching ID
PubChem CID
16154789
PubChem SID
810625 ; 7849203 ; 16593451 ; 28746052 ; 40687868 ; 47205145 ; 57380281 ; 93617479 ; 93617480 ; 111123321 ; 111123323 ; 113635291 ; 144072018 ; 144072019 ; 164133011 ; 201499732 ; 201499745 ; 203105385 ; 203105392 ; 241152635 ; 252166409 ; 252166410 ; 252166411 ; 252166412
ChEBI ID
CHEBI:135912
CAS Number
61036-62-2
TTD Drug ID
D0K6MW
Formula
C58H45Cl2N7O18
Canonical SMILES
C1C2C(=O)NC(C3=CC(=CC(=C3)OC4=C(C=CC(=C4)C(C(=O)N2)N)O)O)C(=O)NC5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC5=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl
InChI
1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45-,46+,47-,48+,49+,50-/m1/s1
InChIKey
DKVBOUDTNWVDEP-NJCHZNEYSA-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
Teicoplanin metabolite 1 DM004900 N. A. Oxidation - Hydrolyzationn 1 [6]
Teicoplanin metabolite 2 DM004901 N. A. Oxidation - Hydrolyzationn 1 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005282 Teicoplanin Teicoplanin metabolite 1 Oxidation - Hydrolyzationn Unclear [6]
MR005283 Teicoplanin Teicoplanin metabolite 2 Oxidation - Hydrolyzationn Unclear [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[2]
VanA ligase (vanA) DME1085 Enterococcus faecalis
Q0WYK7_ENTFL
6.3.2.4
[3]
VanA ligase (vanA) DME1086 Enterococcus faecium
VANA_ENTFC
6.3.2.4
[3]
VanA ligase (vanA) DME1291 Enterococcus avium
A0A437UFE2_ENTAV
6.3.2.4
[3]
VanA ligase (vanA) DME1630 Enterococcus gallinarum
A0A376GZ73_ENTGA
6.3.2.4
[4]
VanA ligase (vanA) DME1631 Enterococcus casseliflavus
A0A4U9YK96_ENTCA
6.3.2.4
[5] , [4]
⏷ Show the Full List of 6  DME(s)
References
1 ClinicalTrials.gov (NCT00368498) A Trial to Evaluate the Loading Dose Required to Achieve Therapeutic Serum Teicoplanin Concentration Timely.
2 The 2.7 A resolution structure of the glycopeptide sulfotransferase Teg14. Acta Crystallogr D Biol Crystallogr. 2010 Dec;66(Pt 12):1278-86.
3 Genetics and mechanisms of glycopeptide resistance in enterococci. Antimicrob Agents Chemother. 1993 Aug;37(8):1563-71.
4 Emergence of high-level resistance to glycopeptides in Enterococcus gallinarum and Enterococcus casseliflavus. Antimicrob Agents Chemother. 1994 Jul;38(7):1675-7.
5 vanA in Enterococcus faecium, Enterococcus faecalis, and Enterococcus casseliflavus detected in French cattle. Foodborne Pathog Dis. 2009 Nov;6(9):1107-11.
6 Teicoplanin metabolism in humans

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