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

General Information of Drug (ID: DR2903)
Drug Name
Z-300
Synonyms 2-(2-Hydroxyethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide 2-(4-hydroxybenzoyl)benzoate
Indication Gastric ulcer [ICD11: DA60] Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 366.5 Topological Polar Surface Area 87.1
Heavy Atom Count 25 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
124488
CAS Number
127966-78-3
TTD Drug ID
D0T2MN
Formula
C19H30N2O3S
Canonical SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCCO
InChI
InChI=1S/C19H30N2O3S/c22-11-13-25-16-19(23)20-8-5-12-24-18-7-4-6-17(14-18)15-21-9-2-1-3-10-21/h4,6-7,14,22H,1-3,5,8-13,15-16H2,(H,20,23)
InChIKey
ZRVDLLKTYZXNAD-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
PH DM015347
826974
Unclear - Unclear 1 [2]
Roxatidine M2 DM015204
154971
Unclear - Unclear 1 [2]
SO DM015647
10317771
Unclear - Unclear 1 [2]
TH DM016269
67893376
Unclear - Unclear 1 [2]
PH DM015347
826974
Unclear - Unclear 2 [2]
PH -Glucuronide DM019048 N. A. Unclear - Unclear 2 [2]
PH-Sulfate DM016438
100949808
Unclear - Unclear 2 [2]
Roxatidine M2 DM015204
154971
Unclear - Unclear 2 [2]
SO2 DM015883
14792234
Unclear - Unclear 2 [2]
PH DM015347
826974
Unclear - Unclear 3 [2]
PH -Glucuronide DM019048 N. A. Unclear - Unclear 3 [2]
PH-Sulfate DM016438
100949808
Unclear - Unclear 3 [2]
Roxatidine M2 DM015204
154971
Unclear - Unclear 3 [2]
PH DM015347
826974
Unclear - Unclear 4 [2]
PH -Glucuronide DM019048 N. A. Unclear - Unclear 4 [2]
PH-Sulfate DM016438
100949808
Unclear - Unclear 4 [2]
PH -Glucuronide DM019048 N. A. Unclear - Unclear 5 [2]
PH-Sulfate DM016438
100949808
Unclear - Unclear 5 [2]
⏷ Show the Full List of 18  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011456 Z-300 SO Unclear - Unclear CYP [2]
MR011463 Z-300 PA Unclear - Unclear Unclear [2]
MR011464 Z-300 TH Unclear - Unclear Unclear [2]
MR011466 Z-300 PH Unclear - Unclear Unclear [2]
MR011457 SO SO2 Unclear - Unclear Unclear [2]
MR011462 SO PA Unclear - Unclear Unclear [2]
MR011465 TH PH Unclear - Unclear Unclear [2]
MR011458 SO2 PA Unclear - Unclear Unclear [2]
MR011459 PA PH Unclear - Unclear Unclear [2]
MR011460 PH PH -Glucuronide Unclear - Unclear Unclear [2]
MR011461 PH PH-Sulfate Unclear - Unclear Unclear [2]
⏷ Show the Full List of 11 MR(s)
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 800001448)
2 Metabolic fate of a new histamine H2-receptor antagonist, Z-300, in rat

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