General Information of Drug (ID: DMCME17)

Drug Name
Lisuride
Synonyms
Lisurida; Lisuridum; Lysurid; Lysuride; Lisuride [INN]; Lysuride Hydrogen Maleate; Methylergol Carbamide; Arolac (TN); Cuvalit (TN); Dipergon (TN); Dopergin (TN); Dopergine (TN); Lisurida [INN-Spanish]; Lisuride (INN); Lisuridum [INN-Latin]; Lysenyl Forte (TN); Prolacam (TN); Revanil (TN); Lisuride Maleate (1:1); N'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea; 1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea; 3-(9,10-Didehydro-6-methylergolin-8alpha-yl)-1,1-diethylurea
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Approved [1], [2]
Fibrosis GA14-GC01 Phase 3 [3]
Therapeutic Class
Antiparkinson Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 338.4
Topological Polar Surface Area (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 13.3 mL/min/kg [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.8 hours [4]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.24612 micromolar/kg/day [5]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.73 L/kg [4]
Chemical Identifiers
Formula
C20H26N4O
IUPAC Name
3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Canonical SMILES
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI
InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
InChIKey
BKRGVLQUQGGVSM-KBXCAEBGSA-N
Cross-matching ID
PubChem CID
28864
ChEBI ID
CHEBI:51164
CAS Number
18016-80-3
DrugBank ID
DB00589
TTD ID
D0X7KB
INTEDE ID
DR0965

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Agonist [6], [7], [8]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [9]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 7.30E-01 -1.91E-02 -1.41E-01
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 1.04E-02 6.29E-02 3.54E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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3 ClinicalTrials.gov (NCT00408915) Continuous Application of Lisuride in Parkinson's Disease by Subcutaneous Infusion. U.S. National Institutes of Health.
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