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

General Information of Drug (ID: DR3425)
Drug Name
Omecamtiv mecarbil
Synonyms
Omecamtiv mecarbil; 873697-71-3; Omecamtiv mecarbil (CK-1827452); CK-1827452; CK1827452; UNII-2M19539ERK; CK 1827452; methyl 4-(2-fluoro-3-(3-(6-Methylpyridin-3-yl)ureido)benzyl)piperazine-1-carboxylate; CHEMBL1800955; AMG-423; 2M19539ERK; Methyl 4-(2-Fluoro-3-{[(6-Methylpyridin-3-Yl)carbamoyl]amino}benzyl)piperazine-1-Carboxylate; Methyl 4-[[2-fluoro-3-[n'-(6-methylpyridin-3-yl)ureido]phenyl]methyl]piperazine-1-carboxylate; Omecamtiv mecarbil [USAN:INN]; omecamtiv mercarbil; MLS006011266; SCHEMBL400544; Omecamtiv Mecarbil;
Indication Heart failure [ICD11: BD10-BD1Z] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401.4 Topological Polar Surface Area 86.8
Heavy Atom Count 29 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
11689883
CAS Number
873697-71-3
TTD Drug ID
D0YL8U
Formula
C20H24FN5O3
Canonical SMILES
CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OC
InChI
InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)
InChIKey
RFUBTTPMWSKEIW-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
Omecamtiv mecarbil Metabolites M1 DM016238
66721547
Unclear - Unclear 1 [2]
Omecamtiv mecarbil Metabolites M14 DM016190
57597112
Unclear - Unclear 1 [2]
Omecamtiv mecarbil Metabolites M2 DM019492 N. A. Unclear - Unclear 1 [2]
Omecamtiv mecarbil Metabolites M21 DM019493 N. A. Unclear - Unclear 1 [2]
Omecamtiv mecarbil Metabolites M3 DM016697
141137857
Unclear - Unclear 1 [2]
Omecamtiv mecarbil Metabolites M5 DM016237
66676492
Unclear - Unclear 1 [2]
Omecamtiv mecarbil Metabolites M12 DM019491 N. A. Unclear - Unclear 2 [2]
Omecamtiv mecarbil Metabolites M39 DM019490 N. A. Unclear - Unclear 2 [2]
Omecamtiv mecarbil Metabolites M4 DM019488 N. A. Unclear - Unclear 2 [2]
Potential aldehyde intermediate DM019486 N. A. Unclear - Unclear 2 [2]
Omecamtiv mecarbil Metabolites M11 DM019487 N. A. Unclear - Unclear 3 [2]
Omecamtiv mecarbil Metabolites M40 DM019489 N. A. Unclear - Unclear 3 [2]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012106 Omecamtiv mecarbil Omecamtiv mecarbil Metabolites M5 Unclear - Unclear CYP2D6 [2]
MR012109 Omecamtiv mecarbil Omecamtiv mecarbil Metabolites M3 Unclear - Unclear CYP2D6 ... [2]
MR012114 Omecamtiv mecarbil Omecamtiv mecarbil Metabolites M14 Unclear - Unclear Unclear [2]
MR012116 Omecamtiv mecarbil Omecamtiv mecarbil Metabolites M1 Unclear - Unclear Unclear [2]
MR012117 Omecamtiv mecarbil Omecamtiv mecarbil Metabolites M2 Unclear - Unclear Unclear [2]
MR012118 Omecamtiv mecarbil Omecamtiv mecarbil Metabolites M21 Unclear - Unclear Unclear [2]
MR012115 Omecamtiv mecarbil Metabolites M14 Omecamtiv mecarbil Metabolites M12 Unclear - Unclear Unclear [2]
MR012110 Omecamtiv mecarbil Metabolites M3 Omecamtiv mecarbil Metabolites M4 Unclear - Unclear Unclear [2]
MR012112 Omecamtiv mecarbil Metabolites M3 Omecamtiv mecarbil Metabolites M39 Unclear - Unclear Unclear [2]
MR012107 Omecamtiv mecarbil Metabolites M5 Potential aldehyde intermediate Unclear - Unclear Unclear [2]
MR012113 Omecamtiv mecarbil Metabolites M39 Omecamtiv mecarbil Metabolites M40 Unclear - Unclear Unclear [2]
MR012111 Omecamtiv mecarbil Metabolites M4 Omecamtiv mecarbil Metabolites M40 Unclear - Unclear Unclear [2]
MR012108 Potential aldehyde intermediate Omecamtiv mecarbil Metabolites M11 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 13 MR(s)
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 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 4F12 (CYP4F12) DME0135 Homo sapiens
CP4FC_HUMAN
1.14.14.1
[2]
Cytochrome P450 4F2 (CYP4F2) DME0025 Homo sapiens
CP4F2_HUMAN
1.14.13.30
[2]
Lauric acid omega-hydroxylase (CYP4A11) DME0029 Homo sapiens
CP4AB_HUMAN
1.14.15.3
[2]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Pharmacokinetics, Disposition, and Biotransformation of [(14)C]Omecamtiv Mecarbil in Healthy Male Subjects after a Single Intravenous or Oral Dose

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