EcoDrugPlus


Synonyms	Tesmilifene
Status
Molecule Category	Free-form
UNII	I43T3ID6G2
EPA CompTox	DTXSID1045661

Synonyms

Tesmilifene

Status

Molecule Category

Free-form

UNII

I43T3ID6G2

EPA CompTox

DTXSID1045661


InChI Key	NFIXBCVWIPOYCD-UHFFFAOYSA-N
Smiles	CCN(CC)CCOc1ccc(Cc2ccccc2)cc1
InChI	InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3

InChI Key

NFIXBCVWIPOYCD-UHFFFAOYSA-N

Smiles

CCN(CC)CCOc1ccc(Cc2ccccc2)cc1

InChI

InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3

Property Name	Value
Molecular Formula	C19H25NO
Molecular Weight	283.41
AlogP	4.0
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H25NO

Molecular Weight

283.41

AlogP

4.0

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

12.47

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family	-	160-400	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family

160-400

Resources	Reference
ChEBI	93414
ChEMBL	CHEMBL26424
DrugBank	DB04905
FDA SRS	I43T3ID6G2
PubChem	108092
SureChEMBL	SCHEMBL112525
ZINC	ZINC000000002139

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

TESMILIFENE

Structure

Physicochemical Descriptors

Pharmacology

Cross References