ETHYLENEDIAMINE


Synonyms	Edamine Ethylene diamine Ethylenediamine
Status
Molecule Category	UNKNOWN
UNII	60V9STC53F
EPA CompTox	DTXSID5021881


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

Structure


InChI Key	PIICEJLVQHRZGT-UHFFFAOYSA-N
Smiles	NCCN
InChI	InChI=1S/C2H8N2/c3-1-2-4/h1-4H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C2H8N2
Molecular Weight	60.1
AlogP	-1.1
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	52.04
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	4.0

Assay Description	Organism	Bioactivity	Reference
Inhibitory activity against murine gelatinase B at 5 mM was determined	None	5.0 %

Cross References

Resources	Reference
ChEBI	30347
ChEMBL	CHEMBL816
DrugBank	DB14189
FDA SRS	60V9STC53F
Human Metabolome Database	HMDB0031225
PDB	EDN
PubChem	3301
SureChEMBL	SCHEMBL3083
ZINC	ZINC000037253587

CONTENTS


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).