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

General Information of Drug (ID: DR1796)
Drug Name
TV-1203
Synonyms
Etilevodopa; Etilevodopa (USAN/INN); Etilevodopa [USAN:INN]; L-Dopa ethyl ester; L-Dopa-Et; Levodopa ethyl ester; NULMGOSOSZBEQL-QMMMGPOBSA-N; O-Ethyl-DOPA; SCHEMBL584493; TV-1203; ZINC56897596; (S)-ETHYL 2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOATE; 3-hydroxy-L-tyrosine ethyl ester; 37178-37-3; 895X917GYE; AC1L55FR; CHEBI:135971; CHEMBL1823681; CTK4H7867; DTXSID10905092; L-Tyrosine, 3-hydroxy-, ethyl ester; L-Tyrosine, 3-hydroxy-,ethyl ester; MFCD00871210; UNII-895X917GYE; ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Indication Parkinsonism [ICD11: 8A00] Discontinued [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 225.24 Topological Polar Surface Area 92.8
Heavy Atom Count 16 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
170345
ChEBI ID
CHEBI:135971
CAS Number
37178-37-3
TTD Drug ID
D06SEY
Formula
C11H15NO4
Canonical SMILES
CCOC(=O)C(CC1=CC(=C(C=C1)O)O)N
InChI
1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
InChIKey
NULMGOSOSZBEQL-QMMMGPOBSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Ethanol DM003853
702
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
TV-1203 M2 PDM007692
836
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
TV-1203 M3 PDM007693 N. A. Conjugation - Aromatic OH-glucuronidation 1 Human
TV-1203 M4 PDM007694 N. A. Conjugation - Aromatic OH-glucuronidation 1 Human
TV-1203 M5 PDM007695
5114492
Conjugation - Catechol O-methylation 1 Human
TV-1203 M6 PDM007696
62963126
Conjugation - Catechol O-methylation 1 Human
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]
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 800010329)
2 Identification of cytochrome P450 enzymes involved in the metabolism of 4'-methoxy-alpha-pyrrolidinopropiophenone (MOPPP), a designer drug, in human liver microsomes. Xenobiotica. 2003 Oct;33(10):989-98.

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