EcoDrugPlus


Synonyms	Fipexide NSC-758407
Status
Molecule Category	Free-form
ATC	N06BX05
UNII	TG44VME01D
EPA CompTox	DTXSID5044657

Synonyms

Fipexide

NSC-758407

Status

Molecule Category

Free-form

ATC

N06BX05

UNII

TG44VME01D

EPA CompTox

DTXSID5044657


InChI Key	BFUJHVVEMMWLHC-UHFFFAOYSA-N
Smiles	O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChI	InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2

InChI Key

BFUJHVVEMMWLHC-UHFFFAOYSA-N

Smiles

O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

InChI

InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2

Property Name	Value
Molecular Formula	C20H21ClN2O4
Molecular Weight	388.85
AlogP	2.79
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	51.24
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C20H21ClN2O4

Molecular Weight

388.85

AlogP

2.79

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

51.24

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

27.0

Resources	Reference
ChEBI	94598
ChEMBL	CHEMBL254857
DrugBank	DB13790
DrugCentral	1172
FDA SRS	TG44VME01D
PubChem	3351
SureChEMBL	SCHEMBL532910
ZINC	ZINC000019632822

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

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

FIPEXIDE

Structure

Physicochemical Descriptors

Cross References