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

General Information of Drug (ID: DR2409)
Drug Name
Ticarcillin
Synonyms
Ticarcilina; Ticarcilina[INN-Spanish]; Ticarcillin (INN); Ticarcillin Supplement; Ticarcillin [INN:BAN]; Ticarcilline; Ticarcilline [INN-French]; Ticarcillinum; Ticarcillinum [INN-Latin]; Ticillin [veterinary]; Ticillin [veterinary] (TN); Timentin (TN); (2S,5R,6R)-6-[[(2R)-3-hydroxy-3-oxo-2-thiophen-3-ylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-carboxy-2-(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6beta-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid; A-carboxy-3-thienylmethylpenicillin; Alpha-carboxy-3-thienylmethylpenicillin; BRL-2288; TIPC
Indication Infectious cystitis [ICD11: GC00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 384.4 Topological Polar Surface Area 178
Heavy Atom Count 25 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
36921
PubChem SID
9348 ; 7980792 ; 8174722 ; 11467095 ; 11468215 ; 11486703 ; 14756115 ; 24850647 ; 34678270 ; 46505959 ; 48259405 ; 48416627 ; 50064711 ; 50260758 ; 57269562 ; 96025277 ; 103516898 ; 104325158 ; 117541835 ; 124766433 ; 126663868 ; 135000353 ; 136102420 ; 137128407 ; 143493268 ; 152034275 ; 152242912 ; 160964844 ; 162181262 ; 175265320 ; 175442309 ; 179296067 ; 223668334 ; 226420551 ; 252122152 ; 252358720 ; 252359051
ChEBI ID
ChEBI:9587
CAS Number
34787-01-4
TTD Drug ID
D08USU
Formula
C15H16N2O6S2
Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C
InChI
1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
InChIKey
OHKOGUYZJXTSFX-KZFFXBSXSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Ticarcillin M1 PDM007710 N. A. Oxidation - Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring 1 Human
Ticarcillin M2 PDM007711 N. A. Oxidation - S-Oxidation of dialkylthioether to sulfoxide 1 Human
Ticarcillin M3 PDM007712 N. A. Oxidation - Hydroxylation of methyl carbon adjacent to aliphatic ring 1 Human
Ticarcillin M36 PDM007745
167996316
Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Ticarcillin M37 PDM007746 N. A. Conjugation - Glycine conjugation 1 Human
Ticarcillin M38 PDM007747 N. A. Conjugation - Glycine conjugation 1 Human
Ticarcillin M39 PDM007748 N. A. Conjugation - alpha-N-Acetylation of peptide 1 Human
Ticarcillin M4 PDM007713 N. A. Oxidation - Epoxidation of thiophene 1 Human
Ticarcillin M40 PDM007749 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Ticarcillin M41 PDM007750 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Ticarcillin M42 PDM007751 N. A. Conjugation - Carnitine conjugation 1 Human
Ticarcillin M43 PDM007752 N. A. Conjugation - Carnitine conjugation 1 Human
Ticarcillin M5 PDM007714 N. A. Oxidation - Thiophene S-oxidation 1 Human
Ticarcillin M6 PDM007715 N. A. Oxidation - Oxidation of nitrogen in strained ring system 1 Human
Ticarcillin M10 PDM007719 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M11 PDM007720 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M12 PDM007721 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M13 PDM007722 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M14 PDM007723 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M15 PDM007724 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M16 PDM007725 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
Ticarcillin M17 PDM007726 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M18 PDM007727 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M19 PDM007728 N. A. Conjugation - Sulfation of primary alcohol 2 Human
Ticarcillin M20 PDM007729 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M21 PDM007730 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M22 PDM007731 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M23 PDM007732 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M24 PDM007733 N. A. Conjugation - GSH-conjugation of epoxide 2 Human
Ticarcillin M25 PDM007734 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M26 PDM007735 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M27 PDM007736 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M28 PDM007737 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M29 PDM007738 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M30 PDM007739 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M31 PDM007740 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M32 PDM007741 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M33 PDM007742 N. A. Conjugation - O-Glucuronidation of N-oxide 2 Human
Ticarcillin M34 PDM007743 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M35 PDM007744 N. A. Conjugation - Glycine conjugation 2 Human
Ticarcillin M7 PDM007716 N. A. Conjugation - Alkyl-OH-glucuronidation 2 Human
Ticarcillin M8 PDM007717 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Ticarcillin M9 PDM007718 N. A. Conjugation - O-Glucuronidation of aliphatic acid 2 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-lactamase (blaB) DME1643 Chromobacterium violaceum
A0A3S4HKA9_CHRVL
3.5.2.6
[2]
Beta-lactamase (blaB) DME1015 Fusobacterium mortiferum
C3WC84_FUSMR
3.5.2.6
[3]
Beta-lactamase (blaB) DME1017 Odoribacter splanchnicus
F9Z530_ODOSD
3.5.2.6
[3]
Beta-lactamase (blaB) DME1225 Fusobacterium varium
C6JIU1_FUSVA
3.5.2.6
[4]
Beta-lactamase (blaB) DME1012 Bacteroides eggerthii
A0A414M273_9BACE
3.5.2.6
[3]
Beta-lactamase (blaB) DME1018 Prevotella oralis
Q8KT51_9BACT
3.5.2.6
[3]
Beta-lactamase (blaB) DME1019 Prevotella bivia
Q8KT60_9BACT
3.5.2.6
[3]
⏷ Show the Full List of 7  DME(s)
References
1 Ticarcillin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Beta-lactamase activity in Chromobacterium violaceum. J Infect Dis. 1976 Sep;134(3):290-3.
3 Effect of CO2 on susceptibilities of anaerobes to erythromycin, azithromycin, clarithromycin, and roxithromycin. Antimicrob Agents Chemother. 1994 Feb;38(2):211-6.
4 Beta-lactamase production and susceptibilities to amoxicillin, amoxicillin-clavulanate, ticarcillin, ticarcillin-clavulanate, cefoxitin, imipenem, and metronidazole of 320 non-Bacteroides fragilis Bacteroides isolates and 129 fusobacteria from 28 U.S. centers. Antimicrob Agents Chemother. 1990 Aug;34(8):1546-50.

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