SUMANIROLE

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Synonyms
Status
Molecule Category Free-form
UNII 3E93IV1U45

Structure

InChI Key RKZSNTNMEFVBDT-MRVPVSSYSA-N
Smiles CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1
InChI
InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13N3O
Molecular Weight 203.25
AlogP 0.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 49.82
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor agonist AGONIST PubMed PubMed
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
4.6-669 - - 9-573 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 73 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
4.6-669 - - 9-573 -

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295

Cross References

Resources Reference
ChEMBL CHEMBL419792
DrugBank DB06477
FDA SRS 3E93IV1U45
Guide to Pharmacology 3949
PubChem 9818479
SureChEMBL SCHEMBL154412
ZINC ZINC000003960633
CONTENTS