EcoDrugPlus


Synonyms	Domitor Medetomidine
Status
Molecule Category	Free-form
UNII	MR15E85MQM
EPA CompTox	DTXSID6048258

Synonyms

Domitor

Medetomidine

Status

Molecule Category

Free-form

UNII

MR15E85MQM

EPA CompTox

DTXSID6048258


InChI Key	CUHVIMMYOGQXCV-UHFFFAOYSA-N
Smiles	Cc1cccc(C(C)c2c[nH]cn2)c1C
InChI	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)

InChI Key

CUHVIMMYOGQXCV-UHFFFAOYSA-N

Smiles

Cc1cccc(C(C)c2c[nH]cn2)c1C

InChI

InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)

Property Name	Value
Molecular Formula	C13H16N2
Molecular Weight	200.28
AlogP	3.18
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	15.0

Property Name

Value

Molecular Formula

C13H16N2

Molecular Weight

200.28

AlogP

3.18

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

15.0

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	3-281	-	-	19-25	-

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

3-281

19-25

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	3	-	-	-	-
Rattus norvegicus	-	-	-	19-25	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Cavia porcellus

Rattus norvegicus

19-25

Resources	Reference
ChEBI	48552
ChEMBL	CHEMBL77921
DrugBank	DB11428
DrugCentral	1655
FDA SRS	MR15E85MQM
PharmGKB	PA449256
SureChEMBL	SCHEMBL26432

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PharmGKB

SureChEMBL

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

MEDETOMIDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References