Details of the Drug

General Information of Drug (ID: DMLK4WO)

Drug Name

8R-Lisuride

Synonyms

BKRGVLQUQGGVSM-RDTXWAMCSA-N; S-(-)-Lisuride; 8R-lisuride; NCGC00163158-01; Biomol-NT_000024; Lopac0_000781; BPBio1_001092; CHEMBL1528238; CHEBI:93550; BDBM22867; CCG-204866; L-122; EU-0100781; SR-01000075971; SR-01000075971-1; BRD-K88871508-001-01-9; 1,1-diethyl-3-(9,10-didehydro-6-methyl-8beta-ergolinyl)urea; N'-(9,10-Didehydro-6-methylergoline-8beta-yl)-N,N-diethylurea; 1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergolin-8-yl]urea; S(-)-N'-[(8a)-9,10-Didehydro-6-methylergolin-8-yl]-N,N-diethyl-urea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

338.4

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H26N4O
IUPAC Name: 3-[(6aR,9R)-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-/m1/s1
InChIKey: BKRGVLQUQGGVSM-RDTXWAMCSA-N