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

General Information of Drug (ID: DR3080)
Drug Name
Ecabapide
Synonyms Ecabamide; Muralis; DQ-2511
Indication Peptic ulcer [ICD11: DA61] Discontinued in Preregistration [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 371.4 Topological Polar Surface Area 88.7
Heavy Atom Count 27 Rotatable Bond Count 9
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
65885
CAS Number
104775-36-2
TTD Drug ID
D0Y0ZQ
Formula
C20H25N3O4
Canonical SMILES
CNC(=O)C1=CC(=CC=C1)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C20H25N3O4/c1-21-20(25)15-5-4-6-16(12-15)23-13-19(24)22-10-9-14-7-8-17(26-2)18(11-14)27-3/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKey
JTAGHJPZEDNHHA-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
Ecabapide Metabolite M-3 DM015880
14749553
Oxidation - O-demethylation 1 [2]
Ecabapide Metabolite M-4 DM015879
14749552
Oxidation - O-demethylation 1 [2]
Ecabapide Metabolite M-5 DM017901 N. A. Unclear - Unclear 1 [2]
Ecabapide Metabolite M-6 DM016444
101013560
Oxidation - 6-hydroxylation 1 [2]
Ecabapide Metabolite M1 DM015338
676526
Unclear - Unclear 1 [2]
Ecabapide Metabolite MA-1 DM016507
117563617
Oxidation - Oxidative N-dealkylation 1 [3]
Ecabapide Metabolite Ma-4 DM015660
10360065
Unclear - Unclear 1 [4]
Ecabapide Metabolite MB-2 DM015950
17233047
Unclear - Unclear 1 [3]
Ecabapide Metabolite Ma-2 DM014848
1748
Unclear - Unclear 2 [3]
Ecabapide Metabolite Ma-2 DM014848
1748
Reduction - Reduction 2 [3]
Ecabapide Metabolite MA-5 DM015692
10467430
Oxidation - Oxidation 2 [3]
Ecabapide Metabolite MB-1 DM016126
47377862
Oxidation - Monohydroxylation 2 [3]
Ecabapide Metabolite MB-5 DM015656
10352999
Unclear - Unclear 2 [3]
Ecabapide Metabolite MA-3 DM016699
141293921
Oxidation - Demethylation 3 [3]
Ecabapide Metabolite MA-6 DM017898 N. A. Oxidation - Demethylation 3 [3]
Ecabapide Metabolite MB-3 DM017900 N. A. Oxidation - Monohydroxylation 3 [3]
Ecabapide Metabolite MB-6 DM015133
119499
Oxidation - N-demethylation 3 [3]
Ecabapide Metabolite Ma-4 DM015660
10360065
Conjugation - Sulphation 4 [3]
Ecabapide Metabolite MA-7 DM017899 N. A. Conjugation - Sulphation 4 [3]
Ecabapide Metabolite MB-4 DM015651
10330248
Oxidation - Monohydroxylation 4 [3]
Ecabapide Metabolite MB-4 DM015651
10330248
Oxidation - N-demethylation 4 [3]
⏷ Show the Full List of 21  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009477 Ecabapide Ecabapide Metabolite MA-1 Oxidation - Oxidative N-dealkylation Unclear [3]
MR009484 Ecabapide Ecabapide Metabolite MB-2 Unclear - Unclear Unclear [3]
MR009492 Ecabapide Ecabapide Metabolite Ma-4 Unclear - Unclear Unclear [4]
MR009493 Ecabapide Ecabapide Metabolite M-6 Oxidation - 6-hydroxylation Cyp3a2 [2]
MR009494 Ecabapide Ecabapide Metabolite M-5 Unclear - Unclear Unclear [2]
MR009495 Ecabapide Ecabapide Metabolite M-3 Oxidation - O-demethylation Unclear [2]
MR009496 Ecabapide Ecabapide Metabolite M-4 Oxidation - O-demethylation Unclear [2]
MR009497 Ecabapide Ecabapide Metabolite M1 Unclear - Unclear CYP3A4 ... [2]
MR009478 Ecabapide Metabolite MA-1 Ecabapide Metabolite MA-2 Reduction - Reduction Unclear [3]
MR009481 Ecabapide Metabolite MA-1 Ecabapide Metabolite MA-5 Oxidation - Oxidation Unclear [3]
MR009485 Ecabapide Metabolite MB-2 Ecabapide Metabolite MB-1 Oxidation - Monohydroxylation Unclear [3]
MR009488 Ecabapide Metabolite MB-2 Ecabapide Metabolite MB-5 Unclear - Unclear Unclear [3]
MR009479 Ecabapide Metabolite MA-2 Ecabapide Metabolite MA-3 Oxidation - Demethylation Unclear [3]
MR009482 Ecabapide Metabolite MA-5 Ecabapide Metabolite MA-6 Oxidation - Demethylation Unclear [3]
MR009486 Ecabapide Metabolite MB-1 Ecabapide Metabolite MB-3 Oxidation - Monohydroxylation Unclear [3]
MR009489 Ecabapide Metabolite MB-5 Ecabapide Metabolite MB-6 Oxidation - N-demethylation Unclear [3]
MR009491 Ecabapide Metabolite MB-5 Ecabapide Metabolite MB-3 Oxidation - Monohydroxylation Unclear [3]
MR009480 Ecabapide Metabolite MA-3 Ecabapide Metabolite MA-4 Conjugation - Sulphation Unclear [3]
MR009483 Ecabapide Metabolite MA-6 Ecabapide Metabolite MA-7 Conjugation - Sulphation Unclear [3]
MR009487 Ecabapide Metabolite MB-3 Ecabapide Metabolite MB-4 Oxidation - Monohydroxylation Unclear [3]
MR009490 Ecabapide Metabolite MB-6 Ecabapide Metabolite MB-4 Oxidation - N-demethylation Unclear [3]
⏷ Show the Full List of 21 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A2 (Cyp3a2) DMEN097 Rattus norvegicus
CP3A2_RAT
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000582)
2 Management of sugar intolerance in children
3 Identification of major biliary and urinary metabolites of ecabapide in rats
4 Identification of urinary metabolites of ecabapide in rat

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