EcoDrugPlus


Synonyms	Arkin Arkin z OPC-8212 Vesnarinone
Status
Molecule Category	Free-form
UNII	5COW40EV8M
EPA CompTox	DTXSID80231411

Synonyms

Arkin

Arkin z

OPC-8212

Vesnarinone

Status

Molecule Category

Free-form

UNII

5COW40EV8M

EPA CompTox

DTXSID80231411


InChI Key	ZVNYJIZDIRKMBF-UHFFFAOYSA-N
Smiles	COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC
InChI	InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)

InChI Key

ZVNYJIZDIRKMBF-UHFFFAOYSA-N

Smiles

COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC

InChI

InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)

Property Name	Value
Molecular Formula	C22H25N3O4
Molecular Weight	395.46
AlogP	2.55
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	71.11
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C22H25N3O4

Molecular Weight

395.46

AlogP

2.55

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

71.11

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

29.0

Resources	Reference
ChEBI	31237
ChEMBL	CHEMBL17423
DrugBank	DB12082
DrugCentral	2817
FDA SRS	5COW40EV8M
Human Metabolome Database	HMDB0042059
PubChem	5663
SureChEMBL	SCHEMBL50993
ZINC	ZINC000003781942

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

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

VESNARINONE

Structure

Physicochemical Descriptors

Cross References