guanfacine   Click here for help

GtoPdb Ligand ID: 522

Synonyms: Estulic® | Intuniv® | Tenex®
Approved drug
guanfacine is an approved drug (FDA (1986), EMA (2015))
Compound class: Synthetic organic
Comment: Guanfacine is a centrally acting sympatholytic drug acting via activation of α2-adrenoceptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 81.47
Molecular weight 245.01
XLogP 2.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Cc1c(Cl)cccc1Cl)N=C(N)N
Isomeric SMILES O=C(Cc1c(Cl)cccc1Cl)N=C(N)N
InChI InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
InChI Key INJOMKTZOLKMBF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1986), EMA (2015))
IUPAC Name Click here for help
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
International Nonproprietary Names Click here for help
INN number INN
3999 guanfacine
Synonyms Click here for help
Estulic® | Intuniv® | Tenex®
Database Links Click here for help
BindingDB Ligand 81984
CAS Registry No. 29110-47-2
ChEMBL Ligand CHEMBL862
DrugBank Ligand DB01018
DrugCentral Ligand 1343
GtoPdb PubChem SID 135650327
PubChem CID 3519
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Wikipedia Guanfacine