HYDROXYZINE

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Synonyms
Status
Molecule Category Free-form
ATC N05BB01
UNII 30S50YM8OG
EPA CompTox DTXSID8023137

Structure

InChI Key ZQDWXGKKHFNSQK-UHFFFAOYSA-N
Smiles OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27ClN2O2
Molecular Weight 374.91
AlogP 3.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 35.94
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 73.9
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 300 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 378 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 2 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 50 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 73.9
Hepatitis C virus JFH-1
32 - - - -
Homo sapiens
- - - 2-378 -
Rattus norvegicus
- - - 300 -

Related Entries

Cross References

Resources Reference
ChEBI 5818
ChEMBL CHEMBL896
DrugBank DB00557
DrugCentral 1400
FDA SRS 30S50YM8OG
Human Metabolome Database HMDB0014697
Guide to Pharmacology 7199
KEGG C07045
PharmGKB PA449943
PubChem 3658
SureChEMBL SCHEMBL4491
CONTENTS