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Compound Detail

CHEMBL1719

OLOPATADINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1719
Name OLOPATADINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key HVRLZEKDTUEKQH-NOILCQHBSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1189432
Active Moiety CHEMBL1189432

Known Names

Allelock ALO-4943A ALO4943A KW-4679 KW4679 Olopatadine (as hydrochloride) Olopatadine hcl Olopatadine hydrochloride Olopatadine hydrochloride component of ryaltris Opatanol Pataday Pataday once daily relief +4 more
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
16
Known Names
4
Indications
1
Mechanisms

Molecular Properties

337.4
MW (Da)
3.59
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1996
Availability OTC
Chirality Achiral

Routes of Administration

Topical
USAN Stem -atadine
USAN Year 1995

Extended Properties

Molecular Formula C21H24ClNO3
MW 373.88
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.05

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Histamine H1 receptor antagonist ANTAGONIST Histamine H1 receptor ✓ ✓

Indications

Conjunctivitis, Allergic Pruritus Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal

Activity Summary

Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL3943
 Ki 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor Ki = 16.0 nM 7.8 Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H... 1350797

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
1350797 10.1021/jm00089a020 Rattus norvegicus 1
1350797 10.1021/jm00089a020 Cavia porcellus 1
1350797 10.1021/jm00089a020 Histamine H1 receptor 1
1350797 10.1021/jm00089a020 Muscarinic acetylcholine receptor M1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine