EcoDrugPlus


Synonyms	Terizidone
Status
Molecule Category	UNKNOWN
ATC	J04AK03
UNII	1199LEX5N8

Synonyms

Terizidone

Status

Molecule Category

UNKNOWN

ATC

J04AK03

UNII

1199LEX5N8


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	ODKYYBOHSVLGNU-IAGONARPSA-N
Smiles	O=C1NOCC1/N=C/c1ccc(/C=N/C2CONC2=O)cc1
InChI	InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+

InChI Key

ODKYYBOHSVLGNU-IAGONARPSA-N

Smiles

O=C1NOCC1/N=C/c1ccc(/C=N/C2CONC2=O)cc1

InChI

InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)/b15-5+,16-6+

Property Name	Value
Molecular Formula	C14H14N4O4
Molecular Weight	302.29
AlogP	-0.62
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	101.38
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C14H14N4O4

Molecular Weight

302.29

AlogP

-0.62

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

101.38

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

22.0

Resources	Reference
ChEBI	135278
ChEMBL	CHEMBL2107553
DrugBank	DB12954
DrugCentral	2602
FDA SRS	1199LEX5N8
PubChem	65720
SureChEMBL	SCHEMBL193690

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

TERIZIDONE

Structure

Physicochemical Descriptors

Cross References