EcoDrugPlus


Synonyms	CXB-722 CXB722 Cxb722 Pivagabine
Status
Molecule Category	Free-form
ATC	N06AX15
UNII	C53SV0WO4V
EPA CompTox	DTXSID3046162

Synonyms

CXB-722

CXB722

Cxb722

Pivagabine

Status

Molecule Category

Free-form

ATC

N06AX15

UNII

C53SV0WO4V

EPA CompTox

DTXSID3046162


InChI Key	SRPNQDXRVRCTNK-UHFFFAOYSA-N
Smiles	CC(C)(C)C(=O)NCCCC(=O)O
InChI	InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)

InChI Key

SRPNQDXRVRCTNK-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)NCCCC(=O)O

InChI

InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)

Property Name	Value
Molecular Formula	C9H17NO3
Molecular Weight	187.24
AlogP	1.01
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	66.4
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H17NO3

Molecular Weight

187.24

AlogP

1.01

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

66.4

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	134834
ChEMBL	CHEMBL1870796
DrugBank	DB12951
DrugCentral	2216
FDA SRS	C53SV0WO4V
SureChEMBL	SCHEMBL96152
ZINC	ZINC000001545856

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

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

PIVAGABINE

Structure

Physicochemical Descriptors

Cross References