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

General Information of Drug (ID: DR0585)
Drug Name
DW-1030
Synonyms
Eperison hydrochloride; Eperisone HCl; Eperisone hydrochloride; Mional; Myonal; (4'-ethyl-2-methyl-3-piperidino)propiophenone; 1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-1-propanone hydrochloride; 1-Propanone, 1-(4-ethylphenyl)-2-methyl-3-(1-piperidinyl)-, hydrochloride; 4'-Ethyl-2-methyl-3-piperidinopropiophenone hydrochloride; 56839-43-1; AK174116; C17H26ClNO; CAS-56839-43-1; DSSTox_CID_27822; DSSTox_GSID_47844; DSSTox_RID_82585; E 0646; E-646; EMPP; Propiophenone, 4'-ethyl-2-methyl-3-piperidino-, hydrochloride
Indication Cerebral vasospasm [ICD11: BA85] Phase 3 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 295.8 Topological Polar Surface Area 20.3
Heavy Atom Count 20 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
123698
ChEBI ID
CHEBI:31540
CAS Number
56839-43-1
TTD Drug ID
D0P8TS
Formula
C17H26ClNO
Canonical SMILES
CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
InChI
1S/C17H25NO.ClH/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H
InChIKey
GTAXGNCCEYZRII-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
DW-1030 Metabolite M3 DM005634 N. A. Unclear 1 [2]
DW-1030 Metabolite M4 DM005632
85694478
Unclear 1 [2]
DW-1030 Metabolite M2 DM005633
10164764
Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006009 DW-1030 DW-1030 Metabolite M4 Unclear CYP1A2 ... [2]
MR006011 DW-1030 DW-1030 Metabolite M3 Unclear CYP3A4 ... [2]
MR006012 DW-1030 Metabolite M3 DW-1030 Metabolite M2 Unclear Unclear [2]
MR006010 DW-1030 Metabolite M4 DW-1030 Metabolite M2 Unclear CYP2D6 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT02040415) Phase 3 Study to Evaluate the Efficacy and Safety of DW-1030 and Eperisone HCl in Acute Back Pain Patients.
2 Characterization of human cytochrome P450 enzymes involved in the biotransformation of eperisone. Xenobiotica. 2009 Jan;39(1):1-10.

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