LISURIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G02CB02
UNII: E0QN3D755O

Structure
InChI Key BKRGVLQUQGGVSM-KBXCAEBGSA-N
Smile CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N4O
Molecular Weight 338.46
AlogP 2.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 51.37
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 16 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.71-16.13
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.31 - 0.116-2 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
0.01 0.173 0.3-2.3 0.3-0.953 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1040 - 1022 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
0.02239 0.465 1.995 0.4-0.5 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials
Restless Legs Syndrome 3 D012148 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 18016-80-3
ChEBI 51164
ChEMBL CHEMBL157138
DrugBank DB00589
DrugCentral 1588
EPA CompTox DTXSID30274075
FDA SRS E0QN3D755O
Human Metabolome Database HMDB0014727
Guide to Pharmacology 43
PDB H8G
PharmGKB PA164749019
PubChem 28864
SureChEMBL SCHEMBL43950
ZINC ZINC000003831001
CONTENTS