EcoDrugPlus


Synonyms	ALKS 8700 ALKS-8700 ALKS8700 Alks 8700 BIIB-098 BIIB098 Diroximel fumarate RDC-5108 RDC5108 Vumerity
Status
Molecule Category	Free-form
UNII	K0N0Z40J3W

Synonyms

ALKS 8700

ALKS-8700

ALKS8700

Alks 8700

BIIB-098

BIIB098

Diroximel fumarate

RDC-5108

RDC5108

Vumerity

Status

Molecule Category

Free-form

UNII

K0N0Z40J3W


InChI Key	YIMYDTCOUQIDMT-SNAWJCMRSA-N
Smiles	COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O
InChI	InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+

InChI Key

YIMYDTCOUQIDMT-SNAWJCMRSA-N

Smiles

COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O

InChI

InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+

Property Name	Value
Molecular Formula	C11H13NO6
Molecular Weight	255.23
AlogP	-0.59
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	89.98
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C11H13NO6

Molecular Weight

255.23

AlogP

-0.59

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

5.0

Polar Surface Area

89.98

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

18.0

Mechanism of Action	Action	Reference
Kelch-like ECH-associated protein 1 inhibitor	INHIBITOR	FDA PubMed PubMed

Mechanism of Action

Action

Reference

Kelch-like ECH-associated protein 1 inhibitor

INHIBITOR

FDA PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL3989944
DrugBank	DB14783
FDA SRS	K0N0Z40J3W
Guide to Pharmacology	10525
PubChem	73330464
SureChEMBL	SCHEMBL15499960
ZINC	ZINC000215286156

Resources

Reference

ChEMBL

CHEMBL3989944

DrugBank

DB14783

FDA SRS

K0N0Z40J3W

Guide to Pharmacology

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

DIROXIMEL FUMARATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References