PHENOXYBENZAMINE

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Synonyms
Status
Molecule Category Free-form
ATC C04AX02
UNII 0TTZ664R7Z
EPA CompTox DTXSID0023458

Structure

InChI Key QZVCTJOXCFMACW-UHFFFAOYSA-N
Smiles CC(COc1ccccc1)N(CCCl)Cc1ccccc1
InChI
InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22ClNO
Molecular Weight 303.83
AlogP 4.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 16.4
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1.8 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 120 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 56.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 16.4
Homo sapiens
- - - - 56.7

Cross References

Resources Reference
CAS NUMBER 59-96-1
ChEBI 8077
ChEMBL CHEMBL753
DrugBank DB00925
DrugCentral 2136
FDA SRS 0TTZ664R7Z
Human Metabolome Database HMDB0015061
Guide to Pharmacology 7268
KEGG C07435
PharmGKB PA450919
PubChem 4768
SureChEMBL SCHEMBL5722
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