GUANETHIDINE


Synonyms	Esimil Guanethidine Ismelin
Status
Molecule Category	UNKNOWN
ATC	C02CC02 S01EX01
UNII	ZTI6C33Q2Q
EPA CompTox	DTXSID5023116


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

Structure


InChI Key	ACGDKVXYNVEAGU-UHFFFAOYSA-N
Smiles	N=C(N)NCCN1CCCCCCC1
InChI	InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H22N4
Molecular Weight	198.31
AlogP	0.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	67.64
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	14.0

Cross References

Resources	Reference
ChEBI	5557
ChEMBL	CHEMBL765
DrugBank	DB01170
DrugCentral	1342
FDA SRS	ZTI6C33Q2Q
Human Metabolome Database	HMDB0015301
Guide to Pharmacology	7194
KEGG	C07036
PharmGKB	PA449823
PubChem	3518
SureChEMBL	SCHEMBL34753
ZINC	ZINC000001530648

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).