EcoDrugPlus


Synonyms	4-(2-ethyl-2-indanyl)imidazole. Antisedan Atipamezole MPV-1248
Status
Molecule Category	Free-form
UNII	03N9U5JAF6
EPA CompTox	DTXSID2049135


InChI Key	HSWPZIDYAHLZDD-UHFFFAOYSA-N
Smiles	CCC1(c2c[nH]cn2)Cc2ccccc2C1
InChI	InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)

Property Name	Value
Molecular Formula	C14H16N2
Molecular Weight	212.3
AlogP	2.86
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	28.68
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

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 Adrenergic receptor	-	-	-	0.1259-4.169	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	1.2-4.169	-

Resources	Reference
ChEMBL	CHEMBL353972
DrugBank	DB11481
FDA SRS	03N9U5JAF6
PubChem	71310
SureChEMBL	SCHEMBL304971
ZINC	ZINC000005424171

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

ATIPAMEZOLE

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