EcoDrugPlus


Synonyms	AL-4943A Olopatadine Opatanol
Status
Molecule Category	Free-form
ATC	R01AC08 S01GX09
UNII	D27V6190PM
EPA CompTox	DTXSID3023390


InChI Key	JBIMVDZLSHOPLA-LSCVHKIXSA-N
Smiles	CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
InChI	InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-

Property Name	Value
Molecular Formula	C21H23NO3
Molecular Weight	337.42
AlogP	3.59
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	49.77
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	25.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	-	-	-	20-52

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	20-52

Resources	Reference
ChEMBL	CHEMBL1189432
DrugBank	DB00768
DrugCentral	1986
FDA SRS	D27V6190PM
Human Metabolome Database	HMDB0014906
Guide to Pharmacology	7249
PharmGKB	PA450698
PubChem	5281071
SureChEMBL	SCHEMBL4668
ZINC	ZINC000000001850

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OLOPATADINE

Structure

Physicochemical Descriptors

Pharmacology

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