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 2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 1
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
CHEBI:5559
CAS Number
29110-48-3
TTD ID
D0WD8M
INTEDE ID
DR0796

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]
Somatotropin (GH1) OT92RTRD SOMA_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.
5 Effect of centrally acting alpha-adrenergic agonists on sympathetic nervous system function in humans. Hypertension. 1984 Sep-Oct;6(5 Pt 2):II57-62. doi: 10.1161/01.hyp.6.5_pt_2.ii57.