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
CHEMBL135971
CAS Number
37178-37-3
UNII
895X917GYE
DrugBank ID
DB06535
TTD ID
D06SEY
INTEDE ID
DR1796
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.