ITU

ETHYLISOTHIOUREA

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
9 entries where ITU is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	ETHYLISOTHIOUREA
Systematic Name (OpenEye OEToolkits)	ethylsulfanylmethanimidamide
Formula	C₃ H₈ N₂ S
Molecular Weight	104.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(SCC)N
SMILES	CACTVS	3.341	CCSC(N)=N
SMILES	OpenEye OEToolkits	1.5.0	CCSC(=N)N
Canonical SMILES	CACTVS	3.341	CCSC(N)=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCSC(=N)N
InChI	InChI	1.03	InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
InChIKey	InChI	1.03	VFIZBHJTOHUOEK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02234
Name	S-Ethylisothiourea
Groups	experimental
Description	S-Ethylisothiourea is a nitric oxide synthase inhibitor.
Synonyms	CARBAMIMIDOTHIOIC ACID, ETHYL ESTER S-Ethyl isothiouronium bromide S-Ethylisothiourea S-ETHYLISOTHIOURONIUM Etiron S-ethylisothiouronium diethyl phosphate 2-Ethyl-2-thiopseudourea Ethyron
Categories	Amides Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Enzyme Inhibitors Hypnotics and Sedatives Nitric Oxide Synthase, antagonists & inhibitors Sulfur Compounds Thiourea Vasoconstrictor Agents
CAS number	2986-20-1

Drug Targets

Name	Target Sequence	Pharmacological Action
Nitric oxide synthase oxygenase	MLFKEAQAFIENMYKECHYETQIINKRLHDIELEIKETGTYTHTEEELIY...	unknown
Nitric oxide synthase, inducible	MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...	unknown
Nitric oxide synthase, endothelial	MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682