EcoDrugPlus


Synonyms	Carditonic Coramine NSC-130820 Nicethamide Nikethamide Nikethyl
Status
Molecule Category	UNKNOWN
ATC	R07AB02
UNII	368IVD6M32
EPA CompTox	DTXSID9046524

Synonyms

Carditonic

Coramine

NSC-130820

Nicethamide

Nikethamide

Nikethyl

Status

Molecule Category

UNKNOWN

ATC

R07AB02

UNII

368IVD6M32

EPA CompTox

DTXSID9046524


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


InChI Key	NCYVXEGFNDZQCU-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)c1cccnc1
InChI	InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

InChI Key

NCYVXEGFNDZQCU-UHFFFAOYSA-N

Smiles

CCN(CC)C(=O)c1cccnc1

InChI

InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C10H14N2O
Molecular Weight	178.24
AlogP	1.56
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	3.0
Polar Surface Area	33.2
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H14N2O

Molecular Weight

178.24

AlogP

1.56

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

3.0

Polar Surface Area

33.2

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	134814
ChEMBL	CHEMBL2104607
DrugBank	DB13655
DrugCentral	3383
FDA SRS	368IVD6M32
PubChem	5497
SureChEMBL	SCHEMBL246456
ZINC	ZINC000000001814

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC


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).

NIKETHAMIDE

Structure

Physicochemical Descriptors

Cross References