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

General Information of Drug (ID: DR1970)
Drug Name
Denopamine
Synonyms
Denopamina; Denopamina [Spanish]; Denopamine; Denopamine [INN:JAN]; Denopaminum; Denopaminum [Latin]; Kalgut; Kalgut (TN); R(-)-Denopamine; TA 064; TA-064; V5F60UPD8P; (-)-(R)-1-(p-Hydroxyphenyl)-2-((3,4-dimethoxyphenethyl)amino)ethanol; 4-[(1R)-2-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-hydroxy-ethyl]phenol; 4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol; 71771-90-9; Benzenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-4-hydroxy-, (R)-; CHEMBL493682; NCGC00094384-01; UNII-V5F60UPD8P
Indication Congestive heart failure [ICD11: BD10] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 317.4 Topological Polar Surface Area 71
Heavy Atom Count 23 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5311064
PubChem SID
7979038 ; 11056246 ; 11111097 ; 12012784 ; 15988323 ; 17396784 ; 24262988 ; 24278687 ; 39340792 ; 50652372 ; 57359342 ; 103604705 ; 104105652 ; 114155184 ; 129476746 ; 135650167 ; 144204824 ; 144225998 ; 162178834 ; 162247274 ; 164814601 ; 179151013 ; 198936797 ; 226572136 ; 241130735 ; 252359264
ChEBI ID
CHEBI:135359
CAS Number
71771-90-9
TTD Drug ID
D0Q9ON
Formula
C18H23NO4
Canonical SMILES
COC1=C(C=C(C=C1)CCNCC(C2=CC=C(C=C2)O)O)OC
InChI
1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1
InChIKey
VHSBBVZJABQOSG-INIZCTEOSA-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
Denopamine Metabolite G2 DM006571 N. A. Conjugation - Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007086 Denopamine Denopamine Metabolite G2 Conjugation - Glucuronidation UGT2B7 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 2B17 (UGT2B17) DME0066 Homo sapiens
UDB17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucuronosyltransferase 2B17 (UGT2B17) DME0066 Km = 1.48 microM
UDB17_HUMAN
[2]
References
1 Denopamine, a beta1-adrenergic agonist, prolongs survival in a murine model of congestive heart failure induced by viral myocarditis: suppression of tumor necrosis factor-alpha production in the heart. J Am Coll Cardiol. 1998 Sep;32(3):808-15.
2 Regioselective glucuronidation of denopamine: marked species differences and identification of human udp-glucuronosyltransferase isoform. Drug Metab Dispos. 2005 Mar;33(3):403-12.

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