Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1106

EPINASTINE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
NC1=NCC2c3ccccc3Cc3ccccc3N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1106
Name EPINASTINE
Phase Approved
Structure Type MOL
InChI Key WHWZLSFABNNENI-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Epinastina Epinastine Purivist WAL-801
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
5
Indications

Molecular Properties

249.3
MW (Da)
2.47
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2003
Availability Prescription
Chirality Racemic

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -astine

Extended Properties

Molecular Formula C16H15N3
MW 249.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.08

Indications

Eye Manifestations Hypersensitivity Rhinitis, Allergic, Perennial Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal

ATC Classification

R06AX24
epinastine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
S01GX10
epinastine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 7 meas. best 8.8
Ki 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL3943
 Ki 8.85 8.85 1.4 1
Histamine H1 receptor
CHEMBL3943
 IC50 8.8 8.8 1.6 1
Multidrug and toxin extrusion protein 1
CHEMBL1743126
 IC50 5.96 5.96 1100.0 1
Solute carrier family 22 member 2
CHEMBL1743122
 IC50 5.37 5.37 4300.0 1
Multidrug and toxin extrusion protein 2
CHEMBL1743127
 IC50 4.53 4.53 29800.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.04 4.0133 91201.1 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor Ki = 1.413 nM 8.85 Inhibition of [3H]mepyramine binding with histamine H1 receptor in guinea pig ce... 7650688
Histamine H1 receptor IC50 = 1.585 nM 8.8 Potency against histamine H1 receptor on guinea pig ileum 7650688
Multidrug and toxin extrusion protein 1 IC50 = 1100.0 nM 5.96 Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1... 23241029
Solute carrier family 22 member 2 IC50 = 4300.0 nM 5.37 Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 ... 23241029
Multidrug and toxin extrusion protein 2 IC50 = 29800.0 nM 4.53 Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after ... 23241029
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 91201.08 nM 4.04 Inhibitory concentration against potassium channel HERG 15911273
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 100000.0 nM 4.0 Inhibition of human Potassium channel HERG expressed in mammalian cells 12873512
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 100000.0 nM 4.0 Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... 18448342

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
24088053 10.1021/jm400813y D(2) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24088053 10.1021/jm400813y D(1A) dopamine receptor 2
7650688 10.1021/jm00017a019 Histamine H1 receptor 2
23241029 10.1021/jm301302s Multidrug and toxin extrusion protein 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
23241029 10.1021/jm301302s Multidrug and toxin extrusion protein 2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
18448342 10.1016/j.bmc.2008.04.028 Voltage-gated inwardly rectifying potassium channel KCNH2 1
15911273 10.1016/j.bmcl.2005.03.080 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
15857133 10.1021/jm048980b No relevant target 1

Data from ChEMBL 36 via Core Engine