PHENOXYBENZAMINE

Search structure
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C04AX02
UNII: 0TTZ664R7Z

Structure
InChI Key QZVCTJOXCFMACW-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 12.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Primary Target
α2B-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 45000 - - 16
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 2 -
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
- 15100 - - 57

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 59-96-1
ChEBI 8077
ChEMBL CHEMBL753
DrugBank DB00925
DrugCentral 2136
EPA CompTox DTXSID0023458
FDA SRS 0TTZ664R7Z
Human Metabolome Database HMDB0015061
Guide to Pharmacology 7268
KEGG C07435
PharmGKB PA450919
PubChem 4768
SureChEMBL SCHEMBL5722
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