BLONANSERIN

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Synonyms
Status
Molecule Category Free-form
UNII AQ316B4F8C
EPA CompTox DTXSID7048790

Structure

InChI Key XVGOZDAJGBALKS-UHFFFAOYSA-N
Smiles CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1
InChI
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30FN3
Molecular Weight 367.51
AlogP 4.69
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 19.37
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST 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
- - - 0.14 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.81 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.14-0.81 -

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Dopamine D3 receptor
Description: D(3) dopamine receptor
Organism : Homo sapiens
P35462 ENSG00000151577

Cross References

Resources Reference
ChEBI 31296
ChEMBL CHEMBL178803
DrugBank DB09223
DrugCentral 388
FDA SRS AQ316B4F8C
Guide to Pharmacology 7670
PubChem 125564
SureChEMBL SCHEMBL119669
ZINC ZINC000000597434
CONTENTS