Details of the Drug

General Information of Drug (ID: DMF93U1)

Drug Name
Etilevodopa
Synonyms
LDEE; ND-0601; TV-1203; Levodopa-ethyl-ester; Levodopa prodrug (transdermal, Parkinson's disease); Levodopa prodrug (transdermal, Parkinson's disease), NeuroDerm; L-DOPA prodrug (transdermal, Parkinson's disease), NeuroDerm; Levodopa ester, (transdermal, Parkinson's disease), NeuroDerm
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 225.24
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C11H15NO4
IUPAC Name
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
Canonical SMILES
CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N
InChI
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
Cross-matching ID
PubChem CID
170345
ChEBI ID
CHEBI:135971
CAS Number
37178-37-3
UNII
895X917GYE
DrugBank ID
DB06535
TTD ID
D06SEY
INTEDE ID
DR1796

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.