LISURIDE

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Synonyms
Status
Molecule Category Free-form
ATC G02CB02 N02CA07
UNII E0QN3D755O
EPA CompTox DTXSID30274075

Structure

InChI Key BKRGVLQUQGGVSM-KBXCAEBGSA-N
Smiles 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(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
88.5 - 0.3-2.3 0.1413-77 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - 1.995 0.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
70 - - - -
Cercopithecidae
- - - 77 -
Homo sapiens
88.5 - - 0.1413-1.7 -
Oryctolagus cuniculus
280 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 51164
ChEMBL CHEMBL157138
DrugBank DB00589
DrugCentral 1588
FDA SRS E0QN3D755O
Human Metabolome Database HMDB0014727
Guide to Pharmacology 43
PDB H8G
PharmGKB PA164749019
PubChem 28864
SureChEMBL SCHEMBL43950
ZINC ZINC000003831001
CONTENTS