clonidine   Click here for help

GtoPdb Ligand ID: 516

Synonyms: Catapres® | Kapvay®
Approved drug PDB Ligand
clonidine is an approved drug (FDA (1974))
Compound class: Synthetic organic
Comment: Clonidine is an α2 adrenoceptor agonist.
The structure shown here is in the amino form. A tautomeric imino form, represented by CHEBI:3757 also exists.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 36.42
Molecular weight 229.02
XLogP 2.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cccc(c1NC1=NCCN1)Cl
Isomeric SMILES Clc1cccc(c1NC1=NCCN1)Cl
InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
InChI Key GJSURZIOUXUGAL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1974))
IUPAC Name Click here for help
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
International Nonproprietary Names Click here for help
INN number INN
2624 clonidine
Synonyms Click here for help
Catapres® | Kapvay®
Database Links Click here for help
BindingDB Ligand 50016897
CAS Registry No. 4205-90-7
ChEBI CHEBI:46632
ChEMBL Ligand CHEMBL134
DrugBank Ligand DB00575
DrugCentral Ligand 704
GtoPdb PubChem SID 135650112
PubChem CID 2803
RCSB PDB Ligand CLU
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Wikipedia Clonidine