EcoDrugPlus


Synonyms	Biguanide
Status
Molecule Category	UNKNOWN
UNII	FB4Q52I9K2
EPA CompTox	DTXSID7074664

Synonyms

Biguanide

Status

Molecule Category

UNKNOWN

UNII

FB4Q52I9K2

EPA CompTox

DTXSID7074664


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


InChI Key	XNCOSPRUTUOJCJ-UHFFFAOYSA-N
Smiles	N=C(N)NC(=N)N
InChI	InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)

InChI Key

XNCOSPRUTUOJCJ-UHFFFAOYSA-N

Smiles

N=C(N)NC(=N)N

InChI

InChI=1S/C2H7N5/c3-1(4)7-2(5)6/h(H7,3,4,5,6,7)

Property Name	Value
Molecular Formula	C2H7N5
Molecular Weight	101.11
AlogP	-1.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	0.0
Polar Surface Area	111.77
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H7N5

Molecular Weight

101.11

AlogP

-1.64

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

0.0

Polar Surface Area

111.77

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
ChEBI	3095
ChEMBL	CHEMBL4297654
DrugBank	DB13100
FDA SRS	FB4Q52I9K2
KEGG	C07672
PubChem	5939
SureChEMBL	SCHEMBL8039
ZINC	ZINC000004097424

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

KEGG

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).

BIGUANIDE

Structure

Physicochemical Descriptors

Cross References