APRACLONIDINE

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Search structure


Synonyms	Apraclonidine Iopidine
Status
Molecule Category	Free-form
ATC	S01EA03
UNII	843CEN85DI
EPA CompTox	DTXSID1048415

Structure


InChI Key	IEJXVRYNEISIKR-UHFFFAOYSA-N
Smiles	Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
InChI	InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H10Cl2N4
Molecular Weight	245.11
AlogP	1.76
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	62.44
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	15.0

Pharmacology

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 Adrenergic receptor	1.9-180	4	-	2.9-180	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Oryctolagus cuniculus	1.9-180	-	-	-	-

Cross References

Resources	Reference
ChEBI	2788
ChEMBL	CHEMBL647
DrugBank	DB00964
DrugCentral	229
FDA SRS	843CEN85DI
Human Metabolome Database	HMDB0015099
Guide to Pharmacology	7117
KEGG	C07668
PharmGKB	PA164748866
PubChem	2216
SureChEMBL	SCHEMBL34127
ZINC	ZINC000000020231

CONTENTS

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...

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Last update: Monday, 3 November 2025