Details of the Drug

General Information of Drug (ID: DMF29Q5)

Drug Name

Connexyn

Synonyms

Estulic; Intuniv; Tenex; GUANFACINE HCL; Guanfacine hydrochloride; G 1043; LON 798; BS 100-141; Guanfacine hydrochloride [USAN:JAN]; SPD-503; Tenex (TN); BS-100-141; Guanfacine hydrochloride (JAN/USP); N-(Aminoiminomethyl)-2,6-dichlorobenzeneacetamide hydrochloride; N-(Aminoiminomethyl)-2,6-dichlorophenylacetamide monohydrochloride; N-(aminoiminomethyl)-2,6-dichloro-benzeneacetamide hydrochloride; N-Amidino-2-(2,6-dichlorophenyl)acetamide hydrochloride; N-Amidino-2-(2,6-dichlorophenyl)acetamide monohydrochloride; N-carbamimidoyl-2-(2,6-dichlorphenyl)acetamidhydrochlorid; N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide hydrochloride; Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride; Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, hydrochloride (1:1)

Indication

Disease Entry	ICD 11	Status	REF
Attention deficit hyperactivity disorder	6A05.Z	Approved	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

282.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C9H10Cl3N3O
IUPAC Name: N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride
Canonical SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl
InChI: InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H
InChIKey: DGFYECXYGUIODH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71401
ChEBI ID: CHEMBL1200494
CAS Number: 29110-48-3
TTD ID: D0WD8M
INTEDE ID: DR0796

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Agonist	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Renin (REN)	OT52GZR2	RENI_HUMAN	Gene/Protein Processing	[4]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Shire Announces NDA Submission of Guanfacine Extended Release for the Treatment of ADHD in Children and Adolescents, 2009. FDA Approved - September 2, 2009
2	alpha2A-adrenergic receptors heterosynaptically regulate glutamatergic transmission in the bed nucleus of the stria terminalis. Neuroscience. 2009 Sep 29;163(1):339-51.
3	Microsomal catalyzed N-hydroxylation of guanfacine and reduction of N-hydroxyguanfacine. Arch Pharm (Weinheim). 1997 Oct;330(9-10):303-6.
4	[Effect of 5-month guanfacine treatment on the renin-angiotensin-aldosterone system and some metabolic factors in patients with diabetes mellitus type II and hypertension]. Pol Tyg Lek. 1992 Nov 16-30;47(46-48):1045-7.