EPINASTINE

Search structure
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AX24
UNII: Q13WX941EF

Structure
InChI Key WHWZLSFABNNENI-UHFFFAOYSA-N
Smile NC1=NCC2c3ccccc3Cc3ccccc3N12
InChI
InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15N3
Molecular Weight 249.32
AlogP 2.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 41.62
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Primary Target
H1 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.95-4.93
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 91201.08-100000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 5.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1.585 - 1.413 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 4300 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 1100 - - 97

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 80012-43-7
ChEBI 51032
ChEMBL CHEMBL1106
DrugBank DB00751
DrugCentral 1027
EPA CompTox DTXSID2048371
FDA SRS Q13WX941EF
Human Metabolome Database HMDB14889
Guide to Pharmacology 7176
PharmGKB PA164764489
PubChem 3241
SureChEMBL SCHEMBL18794
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