ASENAPINE MALEATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII CU9463U2E2

Structure

InChI Key GMDCDXMAFMEDAG-BTJKTKAUSA-N
Smiles CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20ClNO5
Molecular Weight 401.85
AlogP 4.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Bioactivity

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST DailyMed
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
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 Histamine receptor
- - - 6-6 -
Assay Description Organism Bioactivity Reference
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin) Homo sapiens 5.754 nM Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin) Homo sapiens 5.7 nM

Cross References

Resources Reference
ChEBI 71256
ChEMBL CHEMBL3544974
DrugBank DB06216
FDA SRS CU9463U2E2
PubChem 6917875
SureChEMBL SCHEMBL6029138
ZINC ZINC00004893
CONTENTS