EcoDrugPlus


Synonyms	Arluy Mebeverine
Status
Molecule Category	Free-form
ATC	A03AA04
UNII	7F80CC3NNV
EPA CompTox	DTXSID6023238

Synonyms

Arluy

Mebeverine

Status

Molecule Category

Free-form

ATC

A03AA04

UNII

7F80CC3NNV

EPA CompTox

DTXSID6023238


InChI Key	VYVKHNNGDFVQGA-UHFFFAOYSA-N
Smiles	CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1
InChI	InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3

InChI Key

VYVKHNNGDFVQGA-UHFFFAOYSA-N

Smiles

CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1

InChI

InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3

Property Name	Value
Molecular Formula	C25H35NO5
Molecular Weight	429.56
AlogP	4.6
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	13.0
Polar Surface Area	57.23
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C25H35NO5

Molecular Weight

429.56

AlogP

4.6

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

13.0

Polar Surface Area

57.23

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

31.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	-	-	-	10

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	10

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Resources	Reference
ChEBI	91514
ChEMBL	CHEMBL282121
DrugBank	DB12554
DrugCentral	1642
FDA SRS	7F80CC3NNV
Guide to Pharmacology	9011
PubChem	4031
SureChEMBL	SCHEMBL25804

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

9011

PubChem

4031

SureChEMBL

SCHEMBL25804

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

MEBEVERINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References