EcoDrugPlus


Synonyms	Butramin Cf-alli Medaria Racemic sibutramine Reductil Sibutramine
Status
Molecule Category	Free-form
ATC	A08AA10
UNII	WV5EC51866
EPA CompTox	DTXSID1023578

Synonyms

Butramin

Cf-alli

Medaria

Racemic sibutramine

Reductil

Sibutramine

Status

Molecule Category

Free-form

ATC

A08AA10

UNII

WV5EC51866

EPA CompTox

DTXSID1023578


InChI Key	UNAANXDKBXWMLN-UHFFFAOYSA-N
Smiles	CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChI	InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3

InChI Key

UNAANXDKBXWMLN-UHFFFAOYSA-N

Smiles

CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1

InChI

InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3

Property Name	Value
Molecular Formula	C17H26ClN
Molecular Weight	279.86
AlogP	4.74
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H26ClN

Molecular Weight

279.86

AlogP

4.74

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

3.24

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

19.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	-	21.5-34.6

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

21.5-34.6

Resources	Reference
ChEBI	9137
ChEMBL	CHEMBL1419
DrugBank	DB01105
DrugCentral	2440
FDA SRS	WV5EC51866
Human Metabolome Database	HMDB0015237
Guide to Pharmacology	2586
KEGG	C07247
PharmGKB	PA451344
PubChem	5210
SureChEMBL	SCHEMBL2955

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0015237

Guide to Pharmacology

KEGG

PharmGKB

PubChem

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

SIBUTRAMINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References